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

# 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     0.000573      0.499331      0.448008     Biso  1.000000 Fe
   Fe2        1.0     0.000040      0.999736      0.448144     Biso  1.000000 Fe
   Fe3        1.0     0.500057      0.498999      0.448589     Biso  1.000000 Fe
   Fe4        1.0     0.501286      0.001049      0.449281     Biso  1.000000 Fe
   Fe5        1.0     0.498923      0.998836      0.550712     Biso  1.000000 Fe
   Fe6        1.0     0.500119      0.500859      0.551317     Biso  1.000000 Fe
   Fe7        1.0     0.999779     -0.000005      0.551825     Biso  1.000000 Fe
   Fe8        1.0     0.999330      0.500511      0.551939     Biso  1.000000 Fe
   Fe9        1.0     0.000155      0.494479      0.372788     Biso  1.000000 Fe
   Fe10       1.0     0.000810      0.994576      0.373169     Biso  1.000000 Fe
   Fe11       1.0     0.495464      0.490390      0.374537     Biso  1.000000 Fe
   Fe12       1.0     0.498198      0.993391      0.375915     Biso  1.000000 Fe
   Fe13       1.0     0.501117      0.004160      0.624024     Biso  1.000000 Fe
   Fe14       1.0     0.504581      0.507715      0.625215     Biso  1.000000 Fe
   Fe15       1.0     0.999206      0.004273      0.626747     Biso  1.000000 Fe
   Fe16       1.0     0.999776      0.504016      0.627072     Biso  1.000000 Fe
   Fe17       1.0     0.333828      0.168972      0.568699     Biso  1.000000 Fe
   Fe18       1.0     0.331403      0.666410      0.568703     Biso  1.000000 Fe
   Fe19       1.0     0.831456      0.165857      0.568209     Biso  1.000000 Fe
   Fe20       1.0     0.833978      0.668025      0.568636     Biso  1.000000 Fe
   Fe21       1.0     0.333490      0.154048      0.666885     Biso  1.000000 Fe
   Fe22       1.0     0.334911      0.674130      0.664705     Biso  1.000000 Fe
   Fe23       1.0     0.828628      0.168581      0.665853     Biso  1.000000 Fe
   Fe24       1.0     0.831843      0.672124      0.666336     Biso  1.000000 Fe
   Fe25       1.0     0.333079      0.166913      0.491302     Biso  1.000000 Fe
   Fe26       1.0     0.333059      0.665870      0.491430     Biso  1.000000 Fe
   Fe27       1.0     0.834297      0.167045      0.491264     Biso  1.000000 Fe
   Fe28       1.0     0.833752      0.666512      0.491423     Biso  1.000000 Fe
   Fe29       1.0     0.333496      0.163438      0.383654     Biso  1.000000 Fe
   Fe30       1.0     0.332701      0.659391      0.381541     Biso  1.000000 Fe
   Fe31       1.0     0.837862      0.165128      0.382984     Biso  1.000000 Fe
   Fe32       1.0     0.841963      0.664053      0.385223     Biso  1.000000 Fe
   Fe33       1.0     0.167457      0.326195      0.333363     Biso  1.000000 Fe
   Fe34       1.0     0.170836      0.829783      0.333891     Biso  1.000000 Fe
   Fe35       1.0     0.665371      0.323313      0.335124     Biso  1.000000 Fe
   Fe36       1.0     0.667668      0.844561      0.332486     Biso  1.000000 Fe
   Fe37       1.0     0.166378      0.331809      0.431318     Biso  1.000000 Fe
   Fe38       1.0     0.168488      0.833586      0.431759     Biso  1.000000 Fe
   Fe39       1.0     0.668518      0.332953      0.431315     Biso  1.000000 Fe
   Fe40       1.0     0.665940      0.829891      0.431268     Biso  1.000000 Fe
   Fe41       1.0     0.157924      0.334806      0.614710     Biso  1.000000 Fe
   Fe42       1.0     0.161705      0.833198      0.617034     Biso  1.000000 Fe
   Fe43       1.0     0.667589      0.339059      0.618151     Biso  1.000000 Fe
   Fe44       1.0     0.666572      0.835295      0.616245     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     0.157102     -0.000014      0.410159     Biso  1.000000 O
   O2         1.0     0.157559      0.500781      0.409673     Biso  1.000000 O
   O3         1.0     0.654789      0.001538      0.409669     Biso  1.000000 O
   O4         1.0     0.657887      0.502699      0.409758     Biso  1.000000 O
   O5         1.0     0.342224      0.496576      0.590174     Biso  1.000000 O
   O6         1.0     0.345043      0.997273      0.590376     Biso  1.000000 O
   O7         1.0     0.842366      0.498814      0.590244     Biso  1.000000 O
   O8         1.0     0.842665      0.999249      0.589775     Biso  1.000000 O
   O9         1.0     0.497164      0.152096      0.410855     Biso  1.000000 O
   O10        1.0     0.501376      0.652090      0.408312     Biso  1.000000 O
   O11        1.0     0.996901      0.149940      0.410029     Biso  1.000000 O
   O12        1.0     0.001232      0.651565      0.410572     Biso  1.000000 O
   O13        1.0     0.999053      0.347774      0.589292     Biso  1.000000 O
   O14        1.0     0.003210      0.849698      0.589935     Biso  1.000000 O
   O15        1.0     0.498894      0.346524      0.591535     Biso  1.000000 O
   O16        1.0     0.502973      0.846976      0.589020     Biso  1.000000 O
   O17        1.0     0.347353      0.341185      0.410512     Biso  1.000000 O
   O18        1.0     0.352563      0.843658      0.409204     Biso  1.000000 O
   O19        1.0     0.847466      0.341777      0.409492     Biso  1.000000 O
   O20        1.0     0.844857      0.839945      0.409283     Biso  1.000000 O
   O21        1.0     0.155289      0.159366      0.590633     Biso  1.000000 O
   O22        1.0     0.152084      0.657281      0.590350     Biso  1.000000 O
   O23        1.0     0.647991      0.155399      0.590592     Biso  1.000000 O
   O24        1.0     0.652905      0.657834      0.589435     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     0.175281      0.159219      0.351475     Biso  1.000000 O
   O30        1.0     0.173054      0.659624      0.350527     Biso  1.000000 O
   O31        1.0     0.663624      0.147488      0.352132     Biso  1.000000 O
   O32        1.0     0.675557      0.660062      0.347060     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     0.342613      0.004693      0.352698     Biso  1.000000 O
   O38        1.0     0.336000      0.502128      0.350567     Biso  1.000000 O
   O39        1.0     0.838726      0.008358      0.350514     Biso  1.000000 O
   O40        1.0     0.832800      0.504577      0.351171     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     0.492923      0.323457      0.350997     Biso  1.000000 O
   O46        1.0     0.490873      0.824971      0.350164     Biso  1.000000 O
   O47        1.0     0.991379      0.322117      0.349507     Biso  1.000000 O
   O48        1.0     0.994519      0.821849      0.350642     Biso  1.000000 O
   O49        1.0     0.323999      0.337982      0.652623     Biso  1.000000 O
   O50        1.0     0.334451      0.848179      0.647616     Biso  1.000000 O
   O51        1.0     0.826738      0.339162      0.649332     Biso  1.000000 O
   O52        1.0     0.824473      0.839664      0.648452     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     0.166635      0.493501      0.648824     Biso  1.000000 O
   O58        1.0     0.161077      0.990341      0.649454     Biso  1.000000 O
   O59        1.0     0.662927      0.495568      0.649453     Biso  1.000000 O
   O60        1.0     0.656493      0.992803      0.647322     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     0.005077      0.176841      0.649155     Biso  1.000000 O
   O66        1.0     0.007792      0.676219      0.650176     Biso  1.000000 O
   O67        1.0     0.510457      0.173165      0.649519     Biso  1.000000 O
   O68        1.0     0.507465      0.674185      0.648776     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     0.318476      0.180595      0.714508     Biso  1.000000 O
   O74        1.0     0.320804      0.675045      0.713359     Biso  1.000000 O
   O75        1.0     0.807373      0.161572      0.715040     Biso  1.000000 O
   O76        1.0     0.807938      0.678725      0.715379     Biso  1.000000 O
   O77        1.0     0.197685      0.320205      0.284492     Biso  1.000000 O
   O78        1.0     0.196292      0.837098      0.284737     Biso  1.000000 O
   O79        1.0     0.683536      0.323195      0.286463     Biso  1.000000 O
   O80        1.0     0.694122      0.818717      0.285129     Biso  1.000000 O
   O81        1.0     0.648429      0.331570      0.810685     Biso  1.000000 O
   O82        1.0     0.344138      0.650382      0.189296     Biso  1.000000 O
   C1         1.0     0.316133      0.174175      0.751612     Biso  1.000000 C
   C2         1.0     0.320048      0.675561      0.750024     Biso  1.000000 C
   C3         1.0     0.809470      0.165621      0.751695     Biso  1.000000 C
   C4         1.0     0.809739      0.675073      0.751960     Biso  1.000000 C
   C5         1.0     0.313497      0.420674      0.760232     Biso  1.000000 C
   C6         1.0     0.313625      0.924523      0.759494     Biso  1.000000 C
   C7         1.0     0.818770      0.424990      0.761506     Biso  1.000000 C
   C8         1.0     0.067348      0.173115      0.760225     Biso  1.000000 C
   C9         1.0     0.064538      0.672000      0.758907     Biso  1.000000 C
   C10        1.0     0.558555      0.167940      0.763062     Biso  1.000000 C
   C11        1.0     0.064311      0.423854      0.758913     Biso  1.000000 C
   C12        1.0     0.067571      0.925812      0.760199     Biso  1.000000 C
   C13        1.0     0.558725      0.421890      0.763583     Biso  1.000000 C
   C14        1.0     0.398652      0.088090      0.760560     Biso  1.000000 C
   C15        1.0     0.402578      0.584050      0.759357     Biso  1.000000 C
   C16        1.0     0.903598      0.083776      0.760125     Biso  1.000000 C
   C17        1.0     0.898535      0.587660      0.759822     Biso  1.000000 C
   C18        1.0     0.146628      0.089012      0.759822     Biso  1.000000 C
   C19        1.0     0.145736      0.588674      0.758397     Biso  1.000000 C
   C20        1.0     0.634102      0.082277      0.760664     Biso  1.000000 C
   C21        1.0     0.634255      0.583137      0.761133     Biso  1.000000 C
   C22        1.0     0.147759      0.339578      0.759353     Biso  1.000000 C
   C23        1.0     0.147965      0.839790      0.759081     Biso  1.000000 C
   C24        1.0     0.646824      0.338676      0.771790     Biso  1.000000 C
   C25        1.0     0.109773      0.410079      0.239905     Biso  1.000000 C
   C26        1.0     0.105205      0.914019      0.239215     Biso  1.000000 C
   C27        1.0     0.606044      0.413782      0.240165     Biso  1.000000 C
   C28        1.0     0.609794      0.909470      0.239066     Biso  1.000000 C
   C29        1.0     0.360422      0.658066      0.228074     Biso  1.000000 C
   C30        1.0     0.860903      0.158066      0.240476     Biso  1.000000 C
   C31        1.0     0.860864      0.658216      0.240114     Biso  1.000000 C
   C32        1.0     0.374044      0.414081      0.238684     Biso  1.000000 C
   C33        1.0     0.374253      0.915100      0.239340     Biso  1.000000 C
   C34        1.0     0.862539      0.409073      0.241539     Biso  1.000000 C
   C35        1.0     0.862141      0.908890      0.239454     Biso  1.000000 C
   C36        1.0     0.189254      0.572675      0.238433     Biso  1.000000 C
   C37        1.0     0.695028      0.073195      0.240084     Biso  1.000000 C
   C38        1.0     0.695004      0.576964      0.239224     Biso  1.000000 C
   C39        1.0     0.198508      0.322741      0.247801     Biso  1.000000 C
   C40        1.0     0.198514      0.831951      0.248103     Biso  1.000000 C
   C41        1.0     0.688022      0.322173      0.249805     Biso  1.000000 C
   C42        1.0     0.692893      0.823758      0.248049     Biso  1.000000 C
   C43        1.0     0.449482      0.575514      0.236190     Biso  1.000000 C
   C44        1.0     0.941387      0.072145      0.239176     Biso  1.000000 C
   C45        1.0     0.943953      0.573740      0.240963     Biso  1.000000 C
   C46        1.0     0.449522      0.829076      0.236623     Biso  1.000000 C
   C47        1.0     0.943907      0.325830      0.240912     Biso  1.000000 C
   C48        1.0     0.941386      0.824743      0.239042     Biso  1.000000 C
   C49        1.0     0.398423      0.342159      0.761343     Biso  1.000000 C
   C50        1.0     0.402428      0.850062      0.758767     Biso  1.000000 C
   C51        1.0     0.898575      0.342049      0.759649     Biso  1.000000 C
   C52        1.0     0.903762      0.851207      0.760266     Biso  1.000000 C
   C53        1.0     0.105317      0.146707      0.239308     Biso  1.000000 C
   C54        1.0     0.109890      0.655545      0.240260     Biso  1.000000 C
   C55        1.0     0.606213      0.147478      0.241111     Biso  1.000000 C
   C56        1.0     0.609763      0.655540      0.238285     Biso  1.000000 C
   N1         1.0     0.831734      0.931466      0.760453     Biso  1.000000 N
   N2         1.0     0.553684      0.655392      0.759072     Biso  1.000000 N
   N3         1.0     0.553556      0.929654      0.758437     Biso  1.000000 N
   N4         1.0     0.177195      0.066442      0.239036     Biso  1.000000 N
   N5         1.0     0.454843      0.067483      0.241727     Biso  1.000000 N
   N6         1.0     0.454597      0.342215      0.240665     Biso  1.000000 N
   H1         1.0     0.703988      0.436562      0.819059     Biso  1.000000 H
   H2         1.0     0.447019      0.699891      0.179581     Biso  1.000000 H
   H3         1.0     0.292767      0.373540      0.673164     Biso  1.000000 H
   H4         1.0     0.708496      0.624708      0.326748     Biso  1.000000 H
