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

# 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     0.000740      0.499326      0.448077     Biso  1.000000 Fe
   Fe2        1.0     0.000124     -0.000155      0.448098     Biso  1.000000 Fe
   Fe3        1.0     0.500196      0.499130      0.448608     Biso  1.000000 Fe
   Fe4        1.0     0.501371      0.001106      0.449275     Biso  1.000000 Fe
   Fe5        1.0     0.498824      0.998604      0.550804     Biso  1.000000 Fe
   Fe6        1.0     0.500138      0.500805      0.551448     Biso  1.000000 Fe
   Fe7        1.0     0.000038      0.999887      0.551938     Biso  1.000000 Fe
   Fe8        1.0     0.999438      0.500550      0.551941     Biso  1.000000 Fe
   Fe9        1.0     0.999097      0.495118      0.372947     Biso  1.000000 Fe
   Fe10       1.0     0.001637      0.995001      0.372960     Biso  1.000000 Fe
   Fe11       1.0     0.496960      0.491368      0.374505     Biso  1.000000 Fe
   Fe12       1.0     0.499160      0.994166      0.375816     Biso  1.000000 Fe
   Fe13       1.0     0.502057      0.004881      0.624263     Biso  1.000000 Fe
   Fe14       1.0     0.504575      0.507704      0.625565     Biso  1.000000 Fe
   Fe15       1.0     0.999627      0.004249      0.627121     Biso  1.000000 Fe
   Fe16       1.0     0.002204      0.504008      0.627037     Biso  1.000000 Fe
   Fe17       1.0     0.334303      0.169190      0.568845     Biso  1.000000 Fe
   Fe18       1.0     0.331970      0.666314      0.568886     Biso  1.000000 Fe
   Fe19       1.0     0.831907      0.165583      0.568348     Biso  1.000000 Fe
   Fe20       1.0     0.834263      0.667938      0.568750     Biso  1.000000 Fe
   Fe21       1.0     0.333018      0.154205      0.667945     Biso  1.000000 Fe
   Fe22       1.0     0.336510      0.676335      0.666273     Biso  1.000000 Fe
   Fe23       1.0     0.829383      0.169593      0.666390     Biso  1.000000 Fe
   Fe24       1.0     0.835103      0.669967      0.665869     Biso  1.000000 Fe
   Fe25       1.0     0.333156      0.166945      0.491358     Biso  1.000000 Fe
   Fe26       1.0     0.333158      0.665941      0.491487     Biso  1.000000 Fe
   Fe27       1.0     0.834261      0.167063      0.491288     Biso  1.000000 Fe
   Fe28       1.0     0.833741      0.666511      0.491447     Biso  1.000000 Fe
   Fe29       1.0     0.334436      0.164100      0.383794     Biso  1.000000 Fe
   Fe30       1.0     0.333654      0.660362      0.381762     Biso  1.000000 Fe
   Fe31       1.0     0.837840      0.165528      0.382862     Biso  1.000000 Fe
   Fe32       1.0     0.841986      0.664500      0.385103     Biso  1.000000 Fe
   Fe33       1.0     0.167128      0.329196      0.334039     Biso  1.000000 Fe
   Fe34       1.0     0.172237      0.829594      0.333707     Biso  1.000000 Fe
   Fe35       1.0     0.665127      0.322906      0.333536     Biso  1.000000 Fe
   Fe36       1.0     0.669263      0.845794      0.331866     Biso  1.000000 Fe
   Fe37       1.0     0.166568      0.331796      0.431306     Biso  1.000000 Fe
   Fe38       1.0     0.168668      0.833926      0.431729     Biso  1.000000 Fe
   Fe39       1.0     0.668724      0.333334      0.431234     Biso  1.000000 Fe
   Fe40       1.0     0.666547      0.830298      0.431244     Biso  1.000000 Fe
   Fe41       1.0     0.159066      0.334787      0.614913     Biso  1.000000 Fe
   Fe42       1.0     0.163342      0.834067      0.617161     Biso  1.000000 Fe
   Fe43       1.0     0.667816      0.338947      0.618373     Biso  1.000000 Fe
   Fe44       1.0     0.666931      0.835258      0.616474     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     0.157427      0.000580      0.410145     Biso  1.000000 O
   O2         1.0     0.157523      0.500593      0.409743     Biso  1.000000 O
   O3         1.0     0.654999      0.002339      0.409510     Biso  1.000000 O
   O4         1.0     0.658054      0.503121      0.409825     Biso  1.000000 O
   O5         1.0     0.343122      0.496347      0.590176     Biso  1.000000 O
   O6         1.0     0.345880      0.997055      0.590419     Biso  1.000000 O
   O7         1.0     0.843073      0.499144      0.590427     Biso  1.000000 O
   O8         1.0     0.843279      0.998997      0.590005     Biso  1.000000 O
   O9         1.0     0.497756      0.152708      0.410839     Biso  1.000000 O
   O10        1.0     0.501799      0.652777      0.408438     Biso  1.000000 O
   O11        1.0     0.997100      0.150315      0.409962     Biso  1.000000 O
   O12        1.0     0.001078      0.652018      0.410581     Biso  1.000000 O
   O13        1.0     0.999815      0.347417      0.589412     Biso  1.000000 O
   O14        1.0     0.003569      0.849461      0.590136     Biso  1.000000 O
   O15        1.0     0.499215      0.346557      0.591662     Biso  1.000000 O
   O16        1.0     0.503064      0.846255      0.589333     Biso  1.000000 O
   O17        1.0     0.347887      0.341721      0.410347     Biso  1.000000 O
   O18        1.0     0.353563      0.844169      0.409299     Biso  1.000000 O
   O19        1.0     0.847654      0.341826      0.409559     Biso  1.000000 O
   O20        1.0     0.845279      0.840305      0.409253     Biso  1.000000 O
   O21        1.0     0.155836      0.159384      0.590789     Biso  1.000000 O
   O22        1.0     0.152861      0.657859      0.590352     Biso  1.000000 O
   O23        1.0     0.647588      0.155024      0.590700     Biso  1.000000 O
   O24        1.0     0.653525      0.657800      0.589811     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     0.176716      0.161398      0.351217     Biso  1.000000 O
   O30        1.0     0.173776      0.660240      0.351242     Biso  1.000000 O
   O31        1.0     0.663460      0.149103      0.351864     Biso  1.000000 O
   O32        1.0     0.676141      0.661312      0.347031     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     0.342045      0.003430      0.353184     Biso  1.000000 O
   O38        1.0     0.337452      0.503954      0.350656     Biso  1.000000 O
   O39        1.0     0.839180      0.009081      0.350481     Biso  1.000000 O
   O40        1.0     0.830351      0.502834      0.351229     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     0.495111      0.325500      0.350555     Biso  1.000000 O
   O46        1.0     0.492806      0.826231      0.349905     Biso  1.000000 O
   O47        1.0     0.990483      0.323277      0.349354     Biso  1.000000 O
   O48        1.0     0.995716      0.822418      0.350314     Biso  1.000000 O
   O49        1.0     0.324287      0.338184      0.652933     Biso  1.000000 O
   O50        1.0     0.336976      0.849788      0.648211     Biso  1.000000 O
   O51        1.0     0.828085      0.339439      0.649009     Biso  1.000000 O
   O52        1.0     0.824853      0.838135      0.649173     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     0.170832      0.496589      0.648736     Biso  1.000000 O
   O58        1.0     0.162220      0.990806      0.649674     Biso  1.000000 O
   O59        1.0     0.663579      0.495261      0.649608     Biso  1.000000 O
   O60        1.0     0.659236      0.995771      0.647020     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     0.005377      0.176764      0.649584     Biso  1.000000 O
   O66        1.0     0.011624      0.676250      0.650513     Biso  1.000000 O
   O67        1.0     0.509359      0.173336      0.649971     Biso  1.000000 O
   O68        1.0     0.506861      0.673914      0.649539     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     0.305322      0.180985      0.715138     Biso  1.000000 O
   O74        1.0     0.289714      0.663344      0.714804     Biso  1.000000 O
   O75        1.0     0.817077      0.192036      0.715243     Biso  1.000000 O
   O76        1.0     0.802151      0.681066      0.714676     Biso  1.000000 O
   O77        1.0     0.212817      0.319518      0.285715     Biso  1.000000 O
   O78        1.0     0.199282      0.810681      0.285160     Biso  1.000000 O
   O79        1.0     0.722344      0.335820      0.285583     Biso  1.000000 O
   O80        1.0     0.710082      0.821643      0.285198     Biso  1.000000 O
   O81        1.0     0.637421      0.849254      0.712220     Biso  1.000000 O
   O82        1.0     0.377415      0.155703      0.288036     Biso  1.000000 O
   C1         1.0     0.306596      0.176764      0.752594     Biso  1.000000 C
   C2         1.0     0.306227      0.675781      0.751685     Biso  1.000000 C
   C3         1.0     0.807227      0.176830      0.752062     Biso  1.000000 C
   C4         1.0     0.806138      0.677240      0.751917     Biso  1.000000 C
   C5         1.0     0.307431      0.426230      0.762318     Biso  1.000000 C
   C6         1.0     0.307581      0.927736      0.761361     Biso  1.000000 C
   C7         1.0     0.807319      0.427598      0.761348     Biso  1.000000 C
   C8         1.0     0.811892      0.929340      0.760280     Biso  1.000000 C
   C9         1.0     0.056920      0.175554      0.762331     Biso  1.000000 C
   C10        1.0     0.055564      0.675646      0.761306     Biso  1.000000 C
   C11        1.0     0.555210      0.175458      0.761510     Biso  1.000000 C
   C12        1.0     0.553879      0.671394      0.760057     Biso  1.000000 C
   C13        1.0     0.055976      0.427189      0.762025     Biso  1.000000 C
   C14        1.0     0.057060      0.928099      0.761937     Biso  1.000000 C
   C15        1.0     0.555088      0.426217      0.762021     Biso  1.000000 C
   C16        1.0     0.553737      0.929277      0.759485     Biso  1.000000 C
   C17        1.0     0.391628      0.091477      0.761168     Biso  1.000000 C
   C18        1.0     0.392212      0.590893      0.760888     Biso  1.000000 C
   C19        1.0     0.892272      0.090923      0.761097     Biso  1.000000 C
   C20        1.0     0.891437      0.591630      0.760596     Biso  1.000000 C
   C21        1.0     0.136811      0.091717      0.761720     Biso  1.000000 C
   C22        1.0     0.135889      0.591268      0.761224     Biso  1.000000 C
   C23        1.0     0.635166      0.090789      0.760287     Biso  1.000000 C
   C24        1.0     0.635048      0.590684      0.760996     Biso  1.000000 C
   C25        1.0     0.139997      0.342968      0.762093     Biso  1.000000 C
   C26        1.0     0.139899      0.843568      0.761235     Biso  1.000000 C
   C27        1.0     0.639437      0.343140      0.761349     Biso  1.000000 C
   C28        1.0     0.640244      0.843488      0.750215     Biso  1.000000 C
   C29        1.0     0.122743      0.410934      0.239787     Biso  1.000000 C
   C30        1.0     0.121974      0.911567      0.239324     Biso  1.000000 C
   C31        1.0     0.622135      0.411698      0.239433     Biso  1.000000 C
   C32        1.0     0.622635      0.911023      0.239091     Biso  1.000000 C
   C33        1.0     0.374151      0.159396      0.250018     Biso  1.000000 C
   C34        1.0     0.374733      0.659347      0.238872     Biso  1.000000 C
   C35        1.0     0.874254      0.158906      0.239031     Biso  1.000000 C
   C36        1.0     0.874169      0.659473      0.238365     Biso  1.000000 C
   C37        1.0     0.379081      0.411921      0.239139     Biso  1.000000 C
   C38        1.0     0.378881      0.911710      0.240019     Biso  1.000000 C
   C39        1.0     0.878045      0.411193      0.239116     Biso  1.000000 C
   C40        1.0     0.877534      0.910933      0.238637     Biso  1.000000 C
   C41        1.0     0.202337      0.073153      0.240041     Biso  1.000000 C
   C42        1.0     0.206688      0.575008      0.238912     Biso  1.000000 C
   C43        1.0     0.706492      0.074701      0.238876     Biso  1.000000 C
   C44        1.0     0.706708      0.576384      0.238082     Biso  1.000000 C
   C45        1.0     0.208106      0.325296      0.248383     Biso  1.000000 C
   C46        1.0     0.206890      0.825666      0.248309     Biso  1.000000 C
   C47        1.0     0.707674      0.326503      0.248660     Biso  1.000000 C
   C48        1.0     0.707569      0.825805      0.247703     Biso  1.000000 C
   C49        1.0     0.460303      0.073134      0.240873     Biso  1.000000 C
   C50        1.0     0.459026      0.576406      0.238150     Biso  1.000000 C
   C51        1.0     0.957251      0.074580      0.238369     Biso  1.000000 C
   C52        1.0     0.958120      0.575298      0.238313     Biso  1.000000 C
   C53        1.0     0.460407      0.331337      0.240040     Biso  1.000000 C
   C54        1.0     0.458813      0.827046      0.238727     Biso  1.000000 C
   C55        1.0     0.958498      0.326999      0.239029     Biso  1.000000 C
   C56        1.0     0.957245      0.826888      0.238083     Biso  1.000000 C
   C57        1.0     0.391433      0.346442      0.761853     Biso  1.000000 C
   C58        1.0     0.392182      0.847725      0.759971     Biso  1.000000 C
   C59        1.0     0.891754      0.347259      0.761320     Biso  1.000000 C
   C60        1.0     0.892494      0.848167      0.761057     Biso  1.000000 C
   C61        1.0     0.121849      0.154563      0.239222     Biso  1.000000 C
   C62        1.0     0.122351      0.655413      0.238905     Biso  1.000000 C
   C63        1.0     0.621946      0.154734      0.240245     Biso  1.000000 C
   C64        1.0     0.622816      0.656262      0.238416     Biso  1.000000 C
   H1         1.0     0.690437      0.797969      0.702685     Biso  1.000000 H
   H2         1.0     0.324447      0.207835      0.297238     Biso  1.000000 H
   H3         1.0     0.290972      0.372932      0.673263     Biso  1.000000 H
   H4         1.0     0.710957      0.627526      0.326793     Biso  1.000000 H
