#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  'image0                                '
_cell_length_a                         10.14988
_cell_length_b                         10.14988
_cell_length_c                         38.07480
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      120
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Fe1        1.0     0.000875      0.499332      0.448093     Biso  1.000000 Fe
   Fe2        1.0     0.000140      0.999761      0.448206     Biso  1.000000 Fe
   Fe3        1.0     0.500232      0.499044      0.448649     Biso  1.000000 Fe
   Fe4        1.0     0.501505      0.001021      0.449322     Biso  1.000000 Fe
   Fe5        1.0     0.499167     -0.000050      0.551546     Biso  1.000000 Fe
   Fe6        1.0     0.499743      0.500276      0.551473     Biso  1.000000 Fe
   Fe7        1.0     0.999491      0.000411      0.551705     Biso  1.000000 Fe
   Fe8        1.0     0.999078      0.500616      0.551630     Biso  1.000000 Fe
   Fe9        1.0     0.001474      0.493601      0.372892     Biso  1.000000 Fe
   Fe10       1.0     0.002037      0.995380      0.373195     Biso  1.000000 Fe
   Fe11       1.0     0.496805      0.489934      0.374565     Biso  1.000000 Fe
   Fe12       1.0     0.499226      0.994041      0.375864     Biso  1.000000 Fe
   Fe13       1.0     0.498483      1.001127      0.625742     Biso  1.000000 Fe
   Fe14       1.0     0.502901      0.509316      0.625754     Biso  1.000000 Fe
   Fe15       1.0     0.998105      0.003170      0.626412     Biso  1.000000 Fe
   Fe16       1.0     0.998608      0.503516      0.626461     Biso  1.000000 Fe
   Fe17       1.0     0.332656      0.167275      0.568774     Biso  1.000000 Fe
   Fe18       1.0     0.331995      0.667477      0.568895     Biso  1.000000 Fe
   Fe19       1.0     0.829522      0.166026      0.568431     Biso  1.000000 Fe
   Fe20       1.0     0.832535      0.668617      0.568883     Biso  1.000000 Fe
   Fe21       1.0     0.331396      0.153768      0.667001     Biso  1.000000 Fe
   Fe22       1.0     0.327220      0.670339      0.666720     Biso  1.000000 Fe
   Fe23       1.0     0.829619      0.169689      0.665377     Biso  1.000000 Fe
   Fe24       1.0     0.830851      0.669982      0.665646     Biso  1.000000 Fe
   Fe25       1.0     0.333279      0.166909      0.491439     Biso  1.000000 Fe
   Fe26       1.0     0.333186      0.666051      0.491577     Biso  1.000000 Fe
   Fe27       1.0     0.834368      0.167072      0.491449     Biso  1.000000 Fe
   Fe28       1.0     0.833868      0.666475      0.491513     Biso  1.000000 Fe
   Fe29       1.0     0.334049      0.163433      0.383418     Biso  1.000000 Fe
   Fe30       1.0     0.334125      0.659437      0.381929     Biso  1.000000 Fe
   Fe31       1.0     0.839014      0.165447      0.382918     Biso  1.000000 Fe
   Fe32       1.0     0.843109      0.664451      0.385424     Biso  1.000000 Fe
   Fe33       1.0     0.171028      0.328123      0.332764     Biso  1.000000 Fe
   Fe34       1.0     0.171446      0.828721      0.334564     Biso  1.000000 Fe
   Fe35       1.0     0.668510      0.324718      0.335210     Biso  1.000000 Fe
   Fe36       1.0     0.669056      0.844378      0.333006     Biso  1.000000 Fe
   Fe37       1.0     0.167041      0.331512      0.431368     Biso  1.000000 Fe
   Fe38       1.0     0.169000      0.833962      0.431838     Biso  1.000000 Fe
   Fe39       1.0     0.668876      0.332696      0.431329     Biso  1.000000 Fe
   Fe40       1.0     0.666792      0.830410      0.431357     Biso  1.000000 Fe
   Fe41       1.0     0.157263      0.334350      0.614645     Biso  1.000000 Fe
   Fe42       1.0     0.163554      0.833877      0.617149     Biso  1.000000 Fe
   Fe43       1.0     0.665064      0.336230      0.617328     Biso  1.000000 Fe
   Fe44       1.0     0.665372      0.836762      0.617255     Biso  1.000000 Fe
   Fe45       1.0     0.166647      0.333317      0.508787     Biso  1.000000 Fe
   Fe46       1.0     0.166647      0.833317      0.508787     Biso  1.000000 Fe
   Fe47       1.0     0.666647      0.333317      0.508787     Biso  1.000000 Fe
   Fe48       1.0     0.666647      0.833317      0.508787     Biso  1.000000 Fe
   O1         1.0     0.157809      0.000434      0.410073     Biso  1.000000 O
   O2         1.0     0.157860      0.500324      0.409843     Biso  1.000000 O
   O3         1.0     0.655932      0.001725      0.409670     Biso  1.000000 O
   O4         1.0     0.658545      0.502255      0.409660     Biso  1.000000 O
   O5         1.0     0.341520      0.497006      0.590612     Biso  1.000000 O
   O6         1.0     0.342026      0.997770      0.590346     Biso  1.000000 O
   O7         1.0     0.841743      0.499022      0.589939     Biso  1.000000 O
   O8         1.0     0.842162      0.999016      0.589904     Biso  1.000000 O
   O9         1.0     0.497814      0.152448      0.410672     Biso  1.000000 O
   O10        1.0     0.502400      0.652130      0.408400     Biso  1.000000 O
   O11        1.0     0.997396      0.150076      0.410049     Biso  1.000000 O
   O12        1.0     0.001914      0.651769      0.410664     Biso  1.000000 O
   O13        1.0     0.999256      0.348518      0.589271     Biso  1.000000 O
   O14        1.0     0.002838      0.849824      0.590065     Biso  1.000000 O
   O15        1.0     0.497449      0.347032      0.591584     Biso  1.000000 O
   O16        1.0     0.501844      0.847283      0.590078     Biso  1.000000 O
   O17        1.0     0.347966      0.340738      0.410351     Biso  1.000000 O
   O18        1.0     0.353184      0.844001      0.409162     Biso  1.000000 O
   O19        1.0     0.848164      0.341808      0.409349     Biso  1.000000 O
   O20        1.0     0.845313      0.840177      0.409263     Biso  1.000000 O
   O21        1.0     0.154174      0.158997      0.590654     Biso  1.000000 O
   O22        1.0     0.151424      0.656851      0.590353     Biso  1.000000 O
   O23        1.0     0.649669      0.157106      0.590152     Biso  1.000000 O
   O24        1.0     0.650768      0.657885      0.589995     Biso  1.000000 O
   O25        1.0     0.485500      0.165397      0.529962     Biso  1.000000 O
   O26        1.0     0.485500      0.665397      0.529962     Biso  1.000000 O
   O27        1.0     0.985500      0.165397      0.529962     Biso  1.000000 O
   O28        1.0     0.985500      0.665397      0.529962     Biso  1.000000 O
   O29        1.0     0.175577      0.159946      0.351028     Biso  1.000000 O
   O30        1.0     0.174723      0.659444      0.351161     Biso  1.000000 O
   O31        1.0     0.664948      0.148318      0.352065     Biso  1.000000 O
   O32        1.0     0.676721      0.659951      0.347242     Biso  1.000000 O
   O33        1.0     0.334671      0.320202      0.529937     Biso  1.000000 O
   O34        1.0     0.334671      0.820202      0.529937     Biso  1.000000 O
   O35        1.0     0.834671      0.320202      0.529937     Biso  1.000000 O
   O36        1.0     0.834671      0.820202      0.529937     Biso  1.000000 O
   O37        1.0     0.342995      0.005280      0.352307     Biso  1.000000 O
   O38        1.0     0.337679      0.503047      0.350844     Biso  1.000000 O
   O39        1.0     0.839567      0.008962      0.350550     Biso  1.000000 O
   O40        1.0     0.834768      0.505387      0.351182     Biso  1.000000 O
   O41        1.0     0.179875      0.014546      0.529943     Biso  1.000000 O
   O42        1.0     0.179875      0.514546      0.529943     Biso  1.000000 O
   O43        1.0     0.679875      0.014546      0.529943     Biso  1.000000 O
   O44        1.0     0.679875      0.514546      0.529943     Biso  1.000000 O
   O45        1.0     0.494954      0.324021      0.350341     Biso  1.000000 O
   O46        1.0     0.492350      0.825536      0.350032     Biso  1.000000 O
   O47        1.0     0.994373      0.322834      0.349007     Biso  1.000000 O
   O48        1.0     0.995280      0.822394      0.350601     Biso  1.000000 O
   O49        1.0     0.322662      0.337486      0.652929     Biso  1.000000 O
   O50        1.0     0.326053      0.840157      0.649129     Biso  1.000000 O
   O51        1.0     0.825278      0.339631      0.648475     Biso  1.000000 O
   O52        1.0     0.824415      0.838925      0.648480     Biso  1.000000 O
   O53        1.0     0.014500      0.334603      0.470038     Biso  1.000000 O
   O54        1.0     0.014500      0.834603      0.470038     Biso  1.000000 O
   O55        1.0     0.514500      0.334603      0.470038     Biso  1.000000 O
   O56        1.0     0.514500      0.834603      0.470038     Biso  1.000000 O
   O57        1.0     0.162983      0.490708      0.649140     Biso  1.000000 O
   O58        1.0     0.159740      0.989611      0.649674     Biso  1.000000 O
   O59        1.0     0.660683      0.494034      0.649127     Biso  1.000000 O
   O60        1.0     0.660781      0.992659      0.648960     Biso  1.000000 O
   O61        1.0     0.165329      0.179798      0.470063     Biso  1.000000 O
   O62        1.0     0.165329      0.679798      0.470063     Biso  1.000000 O
   O63        1.0     0.665329      0.179798      0.470063     Biso  1.000000 O
   O64        1.0     0.665329      0.679798      0.470063     Biso  1.000000 O
   O65        1.0     0.006187      0.176347      0.649132     Biso  1.000000 O
   O66        1.0     0.005948      0.673912      0.649733     Biso  1.000000 O
   O67        1.0     0.508350      0.172074      0.650170     Biso  1.000000 O
   O68        1.0     0.501933      0.672172      0.650564     Biso  1.000000 O
   O69        1.0     0.320125      0.485454      0.470057     Biso  1.000000 O
   O70        1.0     0.320125      0.985454      0.470057     Biso  1.000000 O
   O71        1.0     0.820125      0.485454      0.470057     Biso  1.000000 O
   O72        1.0     0.820125      0.985454      0.470057     Biso  1.000000 O
   O73        1.0     0.307656      0.181982      0.715129     Biso  1.000000 O
   O74        1.0     0.281612      0.661315      0.716408     Biso  1.000000 O
   O75        1.0     0.807559      0.178252      0.714661     Biso  1.000000 O
   O76        1.0     0.807156      0.678556      0.714741     Biso  1.000000 O
   O77        1.0     0.229944      0.336375      0.283971     Biso  1.000000 O
   O78        1.0     0.200510      0.821959      0.285390     Biso  1.000000 O
   O79        1.0     0.703190      0.323019      0.286337     Biso  1.000000 O
   O80        1.0     0.708099      0.819413      0.285678     Biso  1.000000 O
   O81        1.0     0.164266      0.607092      0.808635     Biso  1.000000 O
   O82        1.0     0.346631      0.402129      0.191793     Biso  1.000000 O
   C1         1.0     0.307737      0.172127      0.750530     Biso  1.000000 C
   C2         1.0     0.302888      0.668125      0.750977     Biso  1.000000 C
   C3         1.0     0.807463      0.170638      0.749798     Biso  1.000000 C
   C4         1.0     0.807541      0.671074      0.749761     Biso  1.000000 C
   C5         1.0     0.312105      0.425643      0.762200     Biso  1.000000 C
   C6         1.0     0.311966      0.925703      0.761748     Biso  1.000000 C
   C7         1.0     0.810911      0.424767      0.762040     Biso  1.000000 C
   C8         1.0     0.810135      0.924124      0.761648     Biso  1.000000 C
   C9         1.0     0.056642      0.170727      0.761452     Biso  1.000000 C
   C10        1.0     0.056073      0.676344      0.762942     Biso  1.000000 C
   C11        1.0     0.559071      0.172723      0.761375     Biso  1.000000 C
   C12        1.0     0.558632      0.673147      0.761343     Biso  1.000000 C
   C13        1.0     0.054653      0.417347      0.763203     Biso  1.000000 C
   C14        1.0     0.056932      0.925429      0.761800     Biso  1.000000 C
   C15        1.0     0.558729      0.426044      0.762073     Biso  1.000000 C
   C16        1.0     0.557077      0.924262      0.761310     Biso  1.000000 C
   C17        1.0     0.394934      0.088446      0.761041     Biso  1.000000 C
   C18        1.0     0.394538      0.587819      0.761126     Biso  1.000000 C
   C19        1.0     0.893772      0.087246      0.760967     Biso  1.000000 C
   C20        1.0     0.895855      0.589960      0.761144     Biso  1.000000 C
   C21        1.0     0.136965      0.087970      0.761294     Biso  1.000000 C
   C22        1.0     0.143605      0.592258      0.770951     Biso  1.000000 C
   C23        1.0     0.637573      0.088296      0.760804     Biso  1.000000 C
   C24        1.0     0.637693      0.588167      0.761177     Biso  1.000000 C
   C25        1.0     0.139333      0.338612      0.761581     Biso  1.000000 C
   C26        1.0     0.140653      0.839599      0.761551     Biso  1.000000 C
   C27        1.0     0.644325      0.340866      0.761350     Biso  1.000000 C
   C28        1.0     0.641128      0.839056      0.760925     Biso  1.000000 C
   C29        1.0     0.118411      0.412560      0.239650     Biso  1.000000 C
   C30        1.0     0.118201      0.912053      0.238805     Biso  1.000000 C
   C31        1.0     0.617570      0.410838      0.239432     Biso  1.000000 C
   C32        1.0     0.619448      0.913038      0.239915     Biso  1.000000 C
   C33        1.0     0.372570      0.161005      0.238859     Biso  1.000000 C
   C34        1.0     0.373656      0.661584      0.238980     Biso  1.000000 C
   C35        1.0     0.872018      0.161129      0.239793     Biso  1.000000 C
   C36        1.0     0.869231      0.659669      0.238922     Biso  1.000000 C
   C37        1.0     0.369623      0.408598      0.229435     Biso  1.000000 C
   C38        1.0     0.376412      0.912636      0.239693     Biso  1.000000 C
   C39        1.0     0.875497      0.412077      0.239890     Biso  1.000000 C
   C40        1.0     0.875520      0.911920      0.239101     Biso  1.000000 C
   C41        1.0     0.200903      0.074550      0.238311     Biso  1.000000 C
   C42        1.0     0.200664      0.574459      0.238498     Biso  1.000000 C
   C43        1.0     0.703249      0.076213      0.239264     Biso  1.000000 C
   C44        1.0     0.702620      0.575968      0.238236     Biso  1.000000 C
   C45        1.0     0.210017      0.332544      0.249419     Biso  1.000000 C
   C46        1.0     0.205005      0.829307      0.250280     Biso  1.000000 C
   C47        1.0     0.705311      0.329519      0.251163     Biso  1.000000 C
   C48        1.0     0.705676      0.828722      0.250189     Biso  1.000000 C
   C49        1.0     0.456383      0.075281      0.238963     Biso  1.000000 C
   C50        1.0     0.458156      0.583490      0.236900     Biso  1.000000 C
   C51        1.0     0.955833      0.075927      0.238803     Biso  1.000000 C
   C52        1.0     0.954637      0.574141      0.238648     Biso  1.000000 C
   C53        1.0     0.457312      0.324813      0.237752     Biso  1.000000 C
   C54        1.0     0.456549      0.829687      0.239522     Biso  1.000000 C
   C55        1.0     0.954654      0.327369      0.239600     Biso  1.000000 C
   C56        1.0     0.954086      0.827598      0.238502     Biso  1.000000 C
   N1         1.0     0.394993      0.346083      0.763313     Biso  1.000000 N
   N2         1.0     0.395590      0.846964      0.762110     Biso  1.000000 N
   N3         1.0     0.895477      0.343722      0.762767     Biso  1.000000 N
   N4         1.0     0.894456      0.846056      0.762660     Biso  1.000000 N
   N5         1.0     0.117343      0.153431      0.237784     Biso  1.000000 N
   N6         1.0     0.117991      0.653644      0.237470     Biso  1.000000 N
   N7         1.0     0.619004      0.154667      0.238342     Biso  1.000000 N
   N8         1.0     0.617975      0.657245      0.237313     Biso  1.000000 N
   H1         1.0     0.217871      0.553398      0.815405     Biso  1.000000 H
   H2         1.0     0.332343      0.304589      0.183705     Biso  1.000000 H
   H3         1.0     0.287360      0.371041      0.673110     Biso  1.000000 H
   H4         1.0     0.712207      0.626797      0.327010     Biso  1.000000 H
