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

# 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     0.001465      0.499712      0.446390     Biso  1.000000 Fe
   Fe2        1.0     0.000529      0.999324      0.448278     Biso  1.000000 Fe
   Fe3        1.0     0.500272      0.499793      0.448600     Biso  1.000000 Fe
   Fe4        1.0     0.501635      0.000319      0.448651     Biso  1.000000 Fe
   Fe5        1.0     0.499072      0.999893      0.551479     Biso  1.000000 Fe
   Fe6        1.0     0.499870      0.500364      0.551377     Biso  1.000000 Fe
   Fe7        1.0     0.999315      0.000433      0.551733     Biso  1.000000 Fe
   Fe8        1.0     0.999173      0.500505      0.551556     Biso  1.000000 Fe
   Fe9        1.0     0.003273      0.496093      0.373336     Biso  1.000000 Fe
   Fe10       1.0     0.003340      0.995674      0.373537     Biso  1.000000 Fe
   Fe11       1.0     0.496279      0.489683      0.374628     Biso  1.000000 Fe
   Fe12       1.0     0.502662      0.998828      0.374716     Biso  1.000000 Fe
   Fe13       1.0     0.498922      0.002218      0.625607     Biso  1.000000 Fe
   Fe14       1.0     0.503331      0.509037      0.625383     Biso  1.000000 Fe
   Fe15       1.0     0.998246      0.003728      0.626556     Biso  1.000000 Fe
   Fe16       1.0     0.998154      0.503592      0.626530     Biso  1.000000 Fe
   Fe17       1.0     0.332360      0.167438      0.568816     Biso  1.000000 Fe
   Fe18       1.0     0.331862      0.667533      0.568854     Biso  1.000000 Fe
   Fe19       1.0     0.829668      0.166145      0.568385     Biso  1.000000 Fe
   Fe20       1.0     0.832702      0.668462      0.568844     Biso  1.000000 Fe
   Fe21       1.0     0.331153      0.154205      0.667421     Biso  1.000000 Fe
   Fe22       1.0     0.329073      0.671793      0.665382     Biso  1.000000 Fe
   Fe23       1.0     0.829013      0.169493      0.665787     Biso  1.000000 Fe
   Fe24       1.0     0.830657      0.670245      0.665569     Biso  1.000000 Fe
   Fe25       1.0     0.333383      0.166571      0.491499     Biso  1.000000 Fe
   Fe26       1.0     0.333193      0.665541      0.491477     Biso  1.000000 Fe
   Fe27       1.0     0.833403      0.167184      0.491286     Biso  1.000000 Fe
   Fe28       1.0     0.834891      0.667363      0.491477     Biso  1.000000 Fe
   Fe29       1.0     0.334981      0.162420      0.383102     Biso  1.000000 Fe
   Fe30       1.0     0.336888      0.665442      0.382851     Biso  1.000000 Fe
   Fe31       1.0     0.838478      0.164983      0.383569     Biso  1.000000 Fe
   Fe32       1.0     0.842593      0.664468      0.385431     Biso  1.000000 Fe
   Fe33       1.0     0.170743      0.328889      0.333976     Biso  1.000000 Fe
   Fe34       1.0     0.172740      0.830383      0.334140     Biso  1.000000 Fe
   Fe35       1.0     0.672142      0.328344      0.334432     Biso  1.000000 Fe
   Fe36       1.0     0.670848      0.846118      0.333044     Biso  1.000000 Fe
   Fe37       1.0     0.166809      0.331102      0.431930     Biso  1.000000 Fe
   Fe38       1.0     0.171483      0.833830      0.432150     Biso  1.000000 Fe
   Fe39       1.0     0.669143      0.333755      0.431919     Biso  1.000000 Fe
   Fe40       1.0     0.668102      0.832363      0.431519     Biso  1.000000 Fe
   Fe41       1.0     0.156849      0.334304      0.614774     Biso  1.000000 Fe
   Fe42       1.0     0.163283      0.834330      0.616921     Biso  1.000000 Fe
   Fe43       1.0     0.665160      0.336292      0.617443     Biso  1.000000 Fe
   Fe44       1.0     0.665817      0.837257      0.617103     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     0.157831      0.999956      0.410249     Biso  1.000000 O
   O2         1.0     0.154589      0.502020      0.411885     Biso  1.000000 O
   O3         1.0     0.659586      0.002530      0.410204     Biso  1.000000 O
   O4         1.0     0.659239      0.502704      0.409461     Biso  1.000000 O
   O5         1.0     0.341294      0.496857      0.590568     Biso  1.000000 O
   O6         1.0     0.341762      0.997986      0.590120     Biso  1.000000 O
   O7         1.0     0.841701      0.498782      0.590016     Biso  1.000000 O
   O8         1.0     0.842254      0.999212      0.589902     Biso  1.000000 O
   O9         1.0     0.499374      0.152971      0.410419     Biso  1.000000 O
   O10        1.0     0.502915      0.652543      0.408658     Biso  1.000000 O
   O11        1.0     0.998715      0.150288      0.410230     Biso  1.000000 O
   O12        1.0     0.000462      0.648257      0.412207     Biso  1.000000 O
   O13        1.0     0.999227      0.348458      0.589288     Biso  1.000000 O
   O14        1.0     0.002663      0.849911      0.590080     Biso  1.000000 O
   O15        1.0     0.497588      0.347203      0.591504     Biso  1.000000 O
   O16        1.0     0.501883      0.847618      0.589993     Biso  1.000000 O
   O17        1.0     0.348283      0.341492      0.410320     Biso  1.000000 O
   O18        1.0     0.350602      0.842241      0.410095     Biso  1.000000 O
   O19        1.0     0.854146      0.347557      0.411680     Biso  1.000000 O
   O20        1.0     0.846198      0.840064      0.409226     Biso  1.000000 O
   O21        1.0     0.153813      0.159158      0.590717     Biso  1.000000 O
   O22        1.0     0.151205      0.656690      0.590307     Biso  1.000000 O
   O23        1.0     0.649566      0.157168      0.590171     Biso  1.000000 O
   O24        1.0     0.651566      0.658637      0.589789     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     0.176048      0.160607      0.351500     Biso  1.000000 O
   O30        1.0     0.175847      0.660962      0.351787     Biso  1.000000 O
   O31        1.0     0.677021      0.161440      0.352316     Biso  1.000000 O
   O32        1.0     0.676857      0.660768      0.347354     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     0.339700      0.006327      0.351412     Biso  1.000000 O
   O38        1.0     0.337371      0.504859      0.351533     Biso  1.000000 O
   O39        1.0     0.841152      0.010234      0.350807     Biso  1.000000 O
   O40        1.0     0.838233      0.507916      0.351137     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     0.497290      0.326870      0.349884     Biso  1.000000 O
   O46        1.0     0.494297      0.827778      0.350239     Biso  1.000000 O
   O47        1.0     0.996739      0.325767      0.350572     Biso  1.000000 O
   O48        1.0     0.995591      0.821663      0.351023     Biso  1.000000 O
   O49        1.0     0.323521      0.338386      0.652963     Biso  1.000000 O
   O50        1.0     0.325395      0.841186      0.648419     Biso  1.000000 O
   O51        1.0     0.825156      0.339154      0.648657     Biso  1.000000 O
   O52        1.0     0.824587      0.839258      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     0.162680      0.490863      0.649244     Biso  1.000000 O
   O58        1.0     0.160054      0.990482      0.649706     Biso  1.000000 O
   O59        1.0     0.660647      0.494155      0.649086     Biso  1.000000 O
   O60        1.0     0.660729      0.992962      0.649055     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     0.005732      0.176405      0.649428     Biso  1.000000 O
   O66        1.0     0.006064      0.674542      0.649743     Biso  1.000000 O
   O67        1.0     0.507536      0.172464      0.650182     Biso  1.000000 O
   O68        1.0     0.503719      0.672895      0.649819     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     0.306058      0.183724      0.715611     Biso  1.000000 O
   O74        1.0     0.306803      0.677855      0.714908     Biso  1.000000 O
   O75        1.0     0.810704      0.181888      0.715440     Biso  1.000000 O
   O76        1.0     0.806438      0.678457      0.714686     Biso  1.000000 O
   O77        1.0     0.208173      0.319679      0.284945     Biso  1.000000 O
   O78        1.0     0.206960      0.822006      0.285169     Biso  1.000000 O
   O79        1.0     0.699766      0.320314      0.284918     Biso  1.000000 O
   O80        1.0     0.704633      0.817653      0.285587     Biso  1.000000 O
   O81        1.0     0.135938      0.332542      0.810518     Biso  1.000000 O
   O82        1.0     0.377377      0.159271      0.189915     Biso  1.000000 O
   C1         1.0     0.305777      0.173048      0.750963     Biso  1.000000 C
   C2         1.0     0.304806      0.670889      0.749969     Biso  1.000000 C
   C3         1.0     0.805456      0.171881      0.750425     Biso  1.000000 C
   C4         1.0     0.805519      0.672254      0.749785     Biso  1.000000 C
   C5         1.0     0.315529      0.429115      0.763300     Biso  1.000000 C
   C6         1.0     0.309082      0.926107      0.761708     Biso  1.000000 C
   C7         1.0     0.808169      0.426704      0.761993     Biso  1.000000 C
   C8         1.0     0.808239      0.924670      0.761346     Biso  1.000000 C
   C9         1.0     0.053210      0.167831      0.763101     Biso  1.000000 C
   C10        1.0     0.055240      0.675116      0.761090     Biso  1.000000 C
   C11        1.0     0.556480      0.174205      0.761668     Biso  1.000000 C
   C12        1.0     0.558274      0.674702      0.761122     Biso  1.000000 C
   C13        1.0     0.052346      0.429568      0.763221     Biso  1.000000 C
   C14        1.0     0.055195      0.925024      0.761433     Biso  1.000000 C
   C15        1.0     0.557193      0.426277      0.762086     Biso  1.000000 C
   C16        1.0     0.555332      0.925970      0.761725     Biso  1.000000 C
   C17        1.0     0.392501      0.089054      0.761315     Biso  1.000000 C
   C18        1.0     0.392983      0.588468      0.761305     Biso  1.000000 C
   C19        1.0     0.892315      0.088211      0.761494     Biso  1.000000 C
   C20        1.0     0.892580      0.590391      0.760994     Biso  1.000000 C
   C21        1.0     0.134798      0.088586      0.761779     Biso  1.000000 C
   C22        1.0     0.134397      0.589022      0.761281     Biso  1.000000 C
   C23        1.0     0.635159      0.088815      0.761274     Biso  1.000000 C
   C24        1.0     0.636316      0.590017      0.761046     Biso  1.000000 C
   C25        1.0     0.139374      0.340066      0.771953     Biso  1.000000 C
   C26        1.0     0.139250      0.840787      0.760712     Biso  1.000000 C
   C27        1.0     0.639875      0.340862      0.761312     Biso  1.000000 C
   C28        1.0     0.639904      0.840354      0.760736     Biso  1.000000 C
   C29        1.0     0.120872      0.412168      0.239039     Biso  1.000000 C
   C30        1.0     0.120097      0.912024      0.239071     Biso  1.000000 C
   C31        1.0     0.621314      0.413298      0.238513     Biso  1.000000 C
   C32        1.0     0.620716      0.910896      0.239339     Biso  1.000000 C
   C33        1.0     0.373931      0.161084      0.228544     Biso  1.000000 C
   C34        1.0     0.374037      0.660714      0.239289     Biso  1.000000 C
   C35        1.0     0.873499      0.160246      0.239083     Biso  1.000000 C
   C36        1.0     0.873402      0.660604      0.239241     Biso  1.000000 C
   C37        1.0     0.378626      0.413121      0.238561     Biso  1.000000 C
   C38        1.0     0.378764      0.912451      0.238849     Biso  1.000000 C
   C39        1.0     0.877942      0.412096      0.239052     Biso  1.000000 C
   C40        1.0     0.876623      0.910711      0.239161     Biso  1.000000 C
   C41        1.0     0.197525      0.071155      0.237186     Biso  1.000000 C
   C42        1.0     0.203885      0.575007      0.238434     Biso  1.000000 C
   C43        1.0     0.705203      0.074697      0.238387     Biso  1.000000 C
   C44        1.0     0.705464      0.576753      0.238434     Biso  1.000000 C
   C45        1.0     0.208219      0.329643      0.250027     Biso  1.000000 C
   C46        1.0     0.208141      0.829896      0.250087     Biso  1.000000 C
   C47        1.0     0.707365      0.329522      0.249848     Biso  1.000000 C
   C48        1.0     0.706874      0.827474      0.250067     Biso  1.000000 C
   C49        1.0     0.460792      0.071499      0.236812     Biso  1.000000 C
   C50        1.0     0.458030      0.576918      0.238434     Biso  1.000000 C
   C51        1.0     0.955848      0.074376      0.238257     Biso  1.000000 C
   C52        1.0     0.957879      0.574958      0.238389     Biso  1.000000 C
   C53        1.0     0.460235      0.333548      0.237481     Biso  1.000000 C
   C54        1.0     0.458056      0.826575      0.239125     Biso  1.000000 C
   C55        1.0     0.956771      0.326862      0.238701     Biso  1.000000 C
   C56        1.0     0.955085      0.826314      0.239064     Biso  1.000000 C
   N1         1.0     0.394996      0.347904      0.763860     Biso  1.000000 N
   N2         1.0     0.392532      0.846585      0.762892     Biso  1.000000 N
   N3         1.0     0.892190      0.348779      0.763705     Biso  1.000000 N
   N4         1.0     0.892849      0.846999      0.762180     Biso  1.000000 N
   N5         1.0     0.118018      0.152232      0.236485     Biso  1.000000 N
   N6         1.0     0.120498      0.654270      0.237165     Biso  1.000000 N
   N7         1.0     0.621105      0.152565      0.236596     Biso  1.000000 N
   N8         1.0     0.620735      0.655074      0.237527     Biso  1.000000 N
   H1         1.0     0.189224      0.437858      0.818875     Biso  1.000000 H
   H2         1.0     0.338104      0.224375      0.181727     Biso  1.000000 H
   H3         1.0     0.289490      0.373387      0.673106     Biso  1.000000 H
   H4         1.0     0.709091      0.626872      0.326683     Biso  1.000000 H
