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

# 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     0.000638      0.499206      0.448068     Biso  1.000000 Fe
   Fe2        1.0     0.000206      0.999474      0.448115     Biso  1.000000 Fe
   Fe3        1.0     0.500138      0.498901      0.448853     Biso  1.000000 Fe
   Fe4        1.0     0.500802      0.000828      0.449222     Biso  1.000000 Fe
   Fe5        1.0     0.499752      0.999975      0.550607     Biso  1.000000 Fe
   Fe6        1.0     0.500118      0.501007      0.551272     Biso  1.000000 Fe
   Fe7        1.0     0.999624      0.999910      0.552077     Biso  1.000000 Fe
   Fe8        1.0     0.998491      0.500306      0.552057     Biso  1.000000 Fe
   Fe9        1.0     0.000902      0.493682      0.372861     Biso  1.000000 Fe
   Fe10       1.0     0.001355      0.994245      0.373103     Biso  1.000000 Fe
   Fe11       1.0     0.496707      0.489978      0.375170     Biso  1.000000 Fe
   Fe12       1.0     0.500885      0.994200      0.375766     Biso  1.000000 Fe
   Fe13       1.0     0.499957      0.003258      0.622218     Biso  1.000000 Fe
   Fe14       1.0     0.502881      0.508598      0.624707     Biso  1.000000 Fe
   Fe15       1.0     0.998403      0.003991      0.626946     Biso  1.000000 Fe
   Fe16       1.0     0.998303      0.504744      0.627366     Biso  1.000000 Fe
   Fe17       1.0     0.332959      0.169027      0.568630     Biso  1.000000 Fe
   Fe18       1.0     0.328892      0.666405      0.568879     Biso  1.000000 Fe
   Fe19       1.0     0.831252      0.165772      0.568305     Biso  1.000000 Fe
   Fe20       1.0     0.834085      0.669081      0.568802     Biso  1.000000 Fe
   Fe21       1.0     0.334475      0.154166      0.666277     Biso  1.000000 Fe
   Fe22       1.0     0.334904      0.676807      0.664631     Biso  1.000000 Fe
   Fe23       1.0     0.825462      0.167972      0.664963     Biso  1.000000 Fe
   Fe24       1.0     0.826552      0.669020      0.666119     Biso  1.000000 Fe
   Fe25       1.0     0.333152      0.166903      0.491303     Biso  1.000000 Fe
   Fe26       1.0     0.333078      0.665861      0.491456     Biso  1.000000 Fe
   Fe27       1.0     0.834419      0.167168      0.491333     Biso  1.000000 Fe
   Fe28       1.0     0.833891      0.666472      0.491534     Biso  1.000000 Fe
   Fe29       1.0     0.334419      0.163133      0.383965     Biso  1.000000 Fe
   Fe30       1.0     0.333295      0.659815      0.382269     Biso  1.000000 Fe
   Fe31       1.0     0.838944      0.165523      0.382323     Biso  1.000000 Fe
   Fe32       1.0     0.842896      0.663876      0.385320     Biso  1.000000 Fe
   Fe33       1.0     0.170771      0.326812      0.333903     Biso  1.000000 Fe
   Fe34       1.0     0.173155      0.829994      0.334623     Biso  1.000000 Fe
   Fe35       1.0     0.666288      0.323849      0.334956     Biso  1.000000 Fe
   Fe36       1.0     0.666928      0.841418      0.332997     Biso  1.000000 Fe
   Fe37       1.0     0.166030      0.330864      0.431367     Biso  1.000000 Fe
   Fe38       1.0     0.168810      0.833125      0.431825     Biso  1.000000 Fe
   Fe39       1.0     0.669338      0.332696      0.431346     Biso  1.000000 Fe
   Fe40       1.0     0.666708      0.830156      0.431406     Biso  1.000000 Fe
   Fe41       1.0     0.156568      0.334960      0.614866     Biso  1.000000 Fe
   Fe42       1.0     0.162144      0.832897      0.618159     Biso  1.000000 Fe
   Fe43       1.0     0.666236      0.337524      0.617399     Biso  1.000000 Fe
   Fe44       1.0     0.666606      0.836226      0.616775     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     0.157585      0.999822      0.410226     Biso  1.000000 O
   O2         1.0     0.157290      0.499900      0.409890     Biso  1.000000 O
   O3         1.0     0.655559      0.001237      0.409028     Biso  1.000000 O
   O4         1.0     0.658686      0.502538      0.409908     Biso  1.000000 O
   O5         1.0     0.340558      0.497310      0.589993     Biso  1.000000 O
   O6         1.0     0.347409      0.998158      0.591248     Biso  1.000000 O
   O7         1.0     0.842101      0.499175      0.590026     Biso  1.000000 O
   O8         1.0     0.842374      0.999295      0.589827     Biso  1.000000 O
   O9         1.0     0.498839      0.152134      0.410900     Biso  1.000000 O
   O10        1.0     0.501904      0.652244      0.408712     Biso  1.000000 O
   O11        1.0     0.997113      0.149343      0.409742     Biso  1.000000 O
   O12        1.0     0.000997      0.650841      0.410706     Biso  1.000000 O
   O13        1.0     0.998376      0.348025      0.589325     Biso  1.000000 O
   O14        1.0     0.003459      0.849885      0.590257     Biso  1.000000 O
   O15        1.0     0.497079      0.346583      0.591086     Biso  1.000000 O
   O16        1.0     0.500889      0.852302      0.590349     Biso  1.000000 O
   O17        1.0     0.347537      0.340189      0.410767     Biso  1.000000 O
   O18        1.0     0.351988      0.842946      0.409603     Biso  1.000000 O
   O19        1.0     0.847998      0.341293      0.409364     Biso  1.000000 O
   O20        1.0     0.844761      0.839784      0.409207     Biso  1.000000 O
   O21        1.0     0.155396      0.159502      0.590732     Biso  1.000000 O
   O22        1.0     0.151579      0.657844      0.590579     Biso  1.000000 O
   O23        1.0     0.646719      0.155161      0.590315     Biso  1.000000 O
   O24        1.0     0.652126      0.659528      0.589223     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     0.176603      0.158463      0.351325     Biso  1.000000 O
   O30        1.0     0.174517      0.659367      0.351005     Biso  1.000000 O
   O31        1.0     0.667885      0.151054      0.351108     Biso  1.000000 O
   O32        1.0     0.676946      0.658579      0.347635     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     0.345998      0.006104      0.352843     Biso  1.000000 O
   O38        1.0     0.338029      0.502159      0.351418     Biso  1.000000 O
   O39        1.0     0.839253      0.006482      0.349549     Biso  1.000000 O
   O40        1.0     0.834150      0.503636      0.350899     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     0.494605      0.323729      0.351255     Biso  1.000000 O
   O46        1.0     0.491009      0.824252      0.350340     Biso  1.000000 O
   O47        1.0     0.993844      0.322172      0.349287     Biso  1.000000 O
   O48        1.0     0.996243      0.821481      0.350953     Biso  1.000000 O
   O49        1.0     0.323537      0.337931      0.652163     Biso  1.000000 O
   O50        1.0     0.334640      0.851600      0.648601     Biso  1.000000 O
   O51        1.0     0.824812      0.339031      0.649023     Biso  1.000000 O
   O52        1.0     0.823598      0.839326      0.649276     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     0.166521      0.495790      0.649015     Biso  1.000000 O
   O58        1.0     0.160464      0.991772      0.650436     Biso  1.000000 O
   O59        1.0     0.660223      0.493567      0.648711     Biso  1.000000 O
   O60        1.0     0.649992      0.993930      0.646494     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     0.003433      0.177185      0.649048     Biso  1.000000 O
   O66        1.0     0.004656      0.676073      0.651090     Biso  1.000000 O
   O67        1.0     0.508973      0.164500      0.648088     Biso  1.000000 O
   O68        1.0     0.505404      0.674343      0.648748     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     0.335308      0.200920      0.714008     Biso  1.000000 O
   O74        1.0     0.327512      0.655163      0.714689     Biso  1.000000 O
   O75        1.0     0.805184      0.158380      0.713956     Biso  1.000000 O
   O76        1.0     0.773801      0.645656      0.715580     Biso  1.000000 O
   O77        1.0     0.211493      0.339208      0.285083     Biso  1.000000 O
   O78        1.0     0.203134      0.841223      0.285871     Biso  1.000000 O
   O79        1.0     0.679112      0.336877      0.285086     Biso  1.000000 O
   O80        1.0     0.673129      0.796883      0.285285     Biso  1.000000 O
   O81        1.0     0.576327      0.430143      0.809442     Biso  1.000000 O
   O82        1.0     0.441452      0.580238      0.188793     Biso  1.000000 O
   C1         1.0     0.314654      0.173043      0.751038     Biso  1.000000 C
   C2         1.0     0.318900      0.673469      0.751129     Biso  1.000000 C
   C3         1.0     0.809790      0.163716      0.750739     Biso  1.000000 C
   C4         1.0     0.809649      0.673584      0.751629     Biso  1.000000 C
   C5         1.0     0.310801      0.416502      0.761598     Biso  1.000000 C
   C6         1.0     0.312662      0.923811      0.759862     Biso  1.000000 C
   C7         1.0     0.813612      0.420575      0.759932     Biso  1.000000 C
   C8         1.0     0.065828      0.170894      0.759390     Biso  1.000000 C
   C9         1.0     0.062124      0.670052      0.759451     Biso  1.000000 C
   C10        1.0     0.560790      0.171208      0.759757     Biso  1.000000 C
   C11        1.0     0.061870      0.421153      0.759339     Biso  1.000000 C
   C12        1.0     0.066662      0.924117      0.758912     Biso  1.000000 C
   C13        1.0     0.561987      0.418973      0.770304     Biso  1.000000 C
   C14        1.0     0.397003      0.087063      0.759487     Biso  1.000000 C
   C15        1.0     0.401729      0.582326      0.760087     Biso  1.000000 C
   C16        1.0     0.902492      0.081424      0.758921     Biso  1.000000 C
   C17        1.0     0.897184      0.586693      0.759766     Biso  1.000000 C
   C18        1.0     0.145387      0.087277      0.758376     Biso  1.000000 C
   C19        1.0     0.143913      0.586673      0.759085     Biso  1.000000 C
   C20        1.0     0.634525      0.080871      0.759090     Biso  1.000000 C
   C21        1.0     0.636967      0.587782      0.760362     Biso  1.000000 C
   C22        1.0     0.145632      0.337143      0.759693     Biso  1.000000 C
   C23        1.0     0.146782      0.838440      0.759060     Biso  1.000000 C
   C24        1.0     0.647772      0.335479      0.760949     Biso  1.000000 C
   C25        1.0     0.110769      0.410738      0.239907     Biso  1.000000 C
   C26        1.0     0.105637      0.915708      0.240725     Biso  1.000000 C
   C27        1.0     0.606659      0.415285      0.239875     Biso  1.000000 C
   C28        1.0     0.611051      0.909909      0.239653     Biso  1.000000 C
   C29        1.0     0.360107      0.661205      0.238042     Biso  1.000000 C
   C30        1.0     0.861525      0.158851      0.240350     Biso  1.000000 C
   C31        1.0     0.862486      0.660147      0.240798     Biso  1.000000 C
   C32        1.0     0.370450      0.409954      0.238373     Biso  1.000000 C
   C33        1.0     0.373458      0.915880      0.240532     Biso  1.000000 C
   C34        1.0     0.863848      0.410438      0.240884     Biso  1.000000 C
   C35        1.0     0.862886      0.910230      0.241187     Biso  1.000000 C
   C36        1.0     0.194353      0.576777      0.239657     Biso  1.000000 C
   C37        1.0     0.695453      0.073061      0.239309     Biso  1.000000 C
   C38        1.0     0.696969      0.579895      0.239161     Biso  1.000000 C
   C39        1.0     0.198436      0.323972      0.248511     Biso  1.000000 C
   C40        1.0     0.198146      0.833663      0.249101     Biso  1.000000 C
   C41        1.0     0.688736      0.323079      0.248594     Biso  1.000000 C
   C42        1.0     0.693415      0.824035      0.248227     Biso  1.000000 C
   C43        1.0     0.446110      0.578058      0.227912     Biso  1.000000 C
   C44        1.0     0.941688      0.073260      0.240642     Biso  1.000000 C
   C45        1.0     0.946011      0.576056      0.241015     Biso  1.000000 C
   C46        1.0     0.447262      0.825531      0.239508     Biso  1.000000 C
   C47        1.0     0.945527      0.327091      0.240248     Biso  1.000000 C
   C48        1.0     0.942420      0.826491      0.240500     Biso  1.000000 C
   C49        1.0     0.392370      0.337020      0.762245     Biso  1.000000 C
   C50        1.0     0.401281      0.848757      0.758953     Biso  1.000000 C
   C51        1.0     0.897274      0.338794      0.759013     Biso  1.000000 C
   C52        1.0     0.903464      0.849598      0.758228     Biso  1.000000 C
   C53        1.0     0.105309      0.147867      0.241085     Biso  1.000000 C
   C54        1.0     0.110769      0.658501      0.241080     Biso  1.000000 C
   C55        1.0     0.606908      0.148040      0.240418     Biso  1.000000 C
   C56        1.0     0.615199      0.659299      0.237371     Biso  1.000000 C
   N1         1.0     0.830836      0.928904      0.758141     Biso  1.000000 N
   N2         1.0     0.554765      0.655470      0.758882     Biso  1.000000 N
   N3         1.0     0.553329      0.928817      0.758693     Biso  1.000000 N
   N4         1.0     0.177653      0.068470      0.240986     Biso  1.000000 N
   N5         1.0     0.454798      0.068020      0.240885     Biso  1.000000 N
   N6         1.0     0.452920      0.344030      0.241573     Biso  1.000000 N
   H1         1.0     0.513065      0.471723      0.817629     Biso  1.000000 H
   H2         1.0     0.479313      0.514124      0.180485     Biso  1.000000 H
   H3         1.0     0.294517      0.375324      0.672784     Biso  1.000000 H
   H4         1.0     0.707563      0.622170      0.327127     Biso  1.000000 H
