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

# 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     0.000966      0.499307      0.448392     Biso  1.000000 Fe
   Fe2        1.0     0.000665      0.999390      0.448402     Biso  1.000000 Fe
   Fe3        1.0     0.500362      0.499423      0.448767     Biso  1.000000 Fe
   Fe4        1.0     0.501197      0.000055      0.448752     Biso  1.000000 Fe
   Fe5        1.0     0.499040      0.999888      0.551343     Biso  1.000000 Fe
   Fe6        1.0     0.499843      0.500463      0.551299     Biso  1.000000 Fe
   Fe7        1.0     0.999421      0.000414      0.551665     Biso  1.000000 Fe
   Fe8        1.0     0.999078      0.500538      0.551650     Biso  1.000000 Fe
   Fe9        1.0     0.002722      0.495006      0.373477     Biso  1.000000 Fe
   Fe10       1.0     0.002451      0.995654      0.373597     Biso  1.000000 Fe
   Fe11       1.0     0.497401      0.489827      0.374742     Biso  1.000000 Fe
   Fe12       1.0     0.502432      0.996341      0.374686     Biso  1.000000 Fe
   Fe13       1.0     0.498478      0.002542      0.625408     Biso  1.000000 Fe
   Fe14       1.0     0.503277      0.509345      0.625323     Biso  1.000000 Fe
   Fe15       1.0     0.998241      0.003550      0.626459     Biso  1.000000 Fe
   Fe16       1.0     0.997895      0.504148      0.626539     Biso  1.000000 Fe
   Fe17       1.0     0.332403      0.167623      0.568713     Biso  1.000000 Fe
   Fe18       1.0     0.331664      0.667441      0.568763     Biso  1.000000 Fe
   Fe19       1.0     0.829595      0.166208      0.568351     Biso  1.000000 Fe
   Fe20       1.0     0.832696      0.668577      0.568773     Biso  1.000000 Fe
   Fe21       1.0     0.330920      0.154928      0.667326     Biso  1.000000 Fe
   Fe22       1.0     0.329151      0.671942      0.665288     Biso  1.000000 Fe
   Fe23       1.0     0.829154      0.169702      0.665290     Biso  1.000000 Fe
   Fe24       1.0     0.830055      0.670830      0.665999     Biso  1.000000 Fe
   Fe25       1.0     0.333362      0.166564      0.491362     Biso  1.000000 Fe
   Fe26       1.0     0.333330      0.666421      0.491443     Biso  1.000000 Fe
   Fe27       1.0     0.834068      0.166820      0.491328     Biso  1.000000 Fe
   Fe28       1.0     0.834031      0.666685      0.491453     Biso  1.000000 Fe
   Fe29       1.0     0.335097      0.162166      0.383192     Biso  1.000000 Fe
   Fe30       1.0     0.335804      0.662560      0.382575     Biso  1.000000 Fe
   Fe31       1.0     0.837975      0.165277      0.383108     Biso  1.000000 Fe
   Fe32       1.0     0.843656      0.665001      0.385338     Biso  1.000000 Fe
   Fe33       1.0     0.171065      0.328397      0.333930     Biso  1.000000 Fe
   Fe34       1.0     0.171952      0.829669      0.334640     Biso  1.000000 Fe
   Fe35       1.0     0.672073      0.327504      0.334604     Biso  1.000000 Fe
   Fe36       1.0     0.670908      0.844694      0.332460     Biso  1.000000 Fe
   Fe37       1.0     0.167699      0.331240      0.431324     Biso  1.000000 Fe
   Fe38       1.0     0.170792      0.833423      0.431679     Biso  1.000000 Fe
   Fe39       1.0     0.668652      0.332175      0.431330     Biso  1.000000 Fe
   Fe40       1.0     0.667927      0.831846      0.431362     Biso  1.000000 Fe
   Fe41       1.0     0.156824      0.334460      0.614713     Biso  1.000000 Fe
   Fe42       1.0     0.162930      0.834366      0.616960     Biso  1.000000 Fe
   Fe43       1.0     0.664891      0.336689      0.617420     Biso  1.000000 Fe
   Fe44       1.0     0.665621      0.837291      0.616929     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     0.158074      0.000318      0.410171     Biso  1.000000 O
   O2         1.0     0.158657      0.500789      0.410072     Biso  1.000000 O
   O3         1.0     0.658397      0.001690      0.409931     Biso  1.000000 O
   O4         1.0     0.659234      0.502655      0.409500     Biso  1.000000 O
   O5         1.0     0.341149      0.496923      0.590530     Biso  1.000000 O
   O6         1.0     0.341754      0.997918      0.590098     Biso  1.000000 O
   O7         1.0     0.841523      0.498945      0.589985     Biso  1.000000 O
   O8         1.0     0.842235      0.999279      0.589877     Biso  1.000000 O
   O9         1.0     0.498785      0.151666      0.410265     Biso  1.000000 O
   O10        1.0     0.503155      0.651984      0.408501     Biso  1.000000 O
   O11        1.0     0.998104      0.149789      0.410009     Biso  1.000000 O
   O12        1.0     0.001454      0.651303      0.410709     Biso  1.000000 O
   O13        1.0     0.998873      0.348508      0.589323     Biso  1.000000 O
   O14        1.0     0.002535      0.849953      0.590051     Biso  1.000000 O
   O15        1.0     0.497452      0.347406      0.591513     Biso  1.000000 O
   O16        1.0     0.501619      0.847596      0.589852     Biso  1.000000 O
   O17        1.0     0.348798      0.340415      0.410359     Biso  1.000000 O
   O18        1.0     0.351383      0.841941      0.409779     Biso  1.000000 O
   O19        1.0     0.849504      0.342879      0.409649     Biso  1.000000 O
   O20        1.0     0.846675      0.840437      0.409345     Biso  1.000000 O
   O21        1.0     0.153875      0.159238      0.590686     Biso  1.000000 O
   O22        1.0     0.151081      0.656745      0.590357     Biso  1.000000 O
   O23        1.0     0.649396      0.157321      0.590135     Biso  1.000000 O
   O24        1.0     0.651484      0.658868      0.589703     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     0.176046      0.159771      0.351575     Biso  1.000000 O
   O30        1.0     0.175637      0.659927      0.351575     Biso  1.000000 O
   O31        1.0     0.674675      0.157706      0.351726     Biso  1.000000 O
   O32        1.0     0.677029      0.660125      0.347188     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     0.340624      0.005640      0.351726     Biso  1.000000 O
   O38        1.0     0.339375      0.504083      0.351178     Biso  1.000000 O
   O39        1.0     0.840426      0.008990      0.350647     Biso  1.000000 O
   O40        1.0     0.838295      0.508037      0.350909     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     0.497331      0.326008      0.350321     Biso  1.000000 O
   O46        1.0     0.494488      0.826705      0.349799     Biso  1.000000 O
   O47        1.0     0.995852      0.324700      0.349895     Biso  1.000000 O
   O48        1.0     0.995084      0.823091      0.350619     Biso  1.000000 O
   O49        1.0     0.323362      0.339121      0.652907     Biso  1.000000 O
   O50        1.0     0.325482      0.841340      0.648407     Biso  1.000000 O
   O51        1.0     0.824807      0.339518      0.648520     Biso  1.000000 O
   O52        1.0     0.824427      0.839458      0.648471     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     0.162412      0.491363      0.649185     Biso  1.000000 O
   O58        1.0     0.160132      0.990718      0.649561     Biso  1.000000 O
   O59        1.0     0.660755      0.494975      0.649107     Biso  1.000000 O
   O60        1.0     0.660240      0.993264      0.648649     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     0.005923      0.176470      0.649203     Biso  1.000000 O
   O66        1.0     0.005059      0.674765      0.649830     Biso  1.000000 O
   O67        1.0     0.507268      0.172839      0.650036     Biso  1.000000 O
   O68        1.0     0.503963      0.673444      0.649715     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     0.305707      0.181958      0.715226     Biso  1.000000 O
   O74        1.0     0.308304      0.679972      0.714671     Biso  1.000000 O
   O75        1.0     0.807413      0.179361      0.714502     Biso  1.000000 O
   O76        1.0     0.804475      0.681195      0.715109     Biso  1.000000 O
   O77        1.0     0.210450      0.320285      0.285257     Biso  1.000000 O
   O78        1.0     0.208202      0.822457      0.285841     Biso  1.000000 O
   O79        1.0     0.700311      0.321298      0.285415     Biso  1.000000 O
   O80        1.0     0.708249      0.818914      0.285035     Biso  1.000000 O
   O81        1.0     0.557837      0.682275      0.811046     Biso  1.000000 O
   O82        1.0     0.462633      0.326779      0.188842     Biso  1.000000 O
   C1         1.0     0.305998      0.175748      0.751107     Biso  1.000000 C
   C2         1.0     0.304853      0.671602      0.750004     Biso  1.000000 C
   C3         1.0     0.805080      0.173244      0.749778     Biso  1.000000 C
   C4         1.0     0.803466      0.671925      0.750407     Biso  1.000000 C
   C5         1.0     0.307304      0.425927      0.761787     Biso  1.000000 C
   C6         1.0     0.308137      0.926061      0.761656     Biso  1.000000 C
   C7         1.0     0.808410      0.426072      0.761309     Biso  1.000000 C
   C8         1.0     0.807723      0.927011      0.762128     Biso  1.000000 C
   C9         1.0     0.055013      0.174497      0.761125     Biso  1.000000 C
   C10        1.0     0.055354      0.674448      0.760991     Biso  1.000000 C
   C11        1.0     0.555651      0.174442      0.760915     Biso  1.000000 C
   C12        1.0     0.555039      0.674129      0.771627     Biso  1.000000 C
   C13        1.0     0.053885      0.426141      0.761211     Biso  1.000000 C
   C14        1.0     0.054217      0.926148      0.761904     Biso  1.000000 C
   C15        1.0     0.554983      0.425870      0.761971     Biso  1.000000 C
   C16        1.0     0.555461      0.927026      0.761856     Biso  1.000000 C
   C17        1.0     0.391658      0.089979      0.761001     Biso  1.000000 C
   C18        1.0     0.387718      0.586334      0.761767     Biso  1.000000 C
   C19        1.0     0.891659      0.090221      0.760825     Biso  1.000000 C
   C20        1.0     0.891612      0.589282      0.760720     Biso  1.000000 C
   C21        1.0     0.134671      0.090059      0.761199     Biso  1.000000 C
   C22        1.0     0.133993      0.589271      0.760488     Biso  1.000000 C
   C23        1.0     0.634867      0.090210      0.760504     Biso  1.000000 C
   C24        1.0     0.635228      0.586281      0.762165     Biso  1.000000 C
   C25        1.0     0.137855      0.340739      0.760564     Biso  1.000000 C
   C26        1.0     0.138748      0.841179      0.761017     Biso  1.000000 C
   C27        1.0     0.639181      0.340770      0.760644     Biso  1.000000 C
   C28        1.0     0.640612      0.844967      0.762442     Biso  1.000000 C
   C29        1.0     0.121509      0.412387      0.239733     Biso  1.000000 C
   C30        1.0     0.121482      0.911307      0.239660     Biso  1.000000 C
   C31        1.0     0.625707      0.415436      0.237752     Biso  1.000000 C
   C32        1.0     0.621490      0.911451      0.239291     Biso  1.000000 C
   C33        1.0     0.372728      0.156802      0.237894     Biso  1.000000 C
   C34        1.0     0.374218      0.660779      0.239502     Biso  1.000000 C
   C35        1.0     0.874407      0.160307      0.239192     Biso  1.000000 C
   C36        1.0     0.875263      0.660887      0.239486     Biso  1.000000 C
   C37        1.0     0.378029      0.415382      0.237892     Biso  1.000000 C
   C38        1.0     0.378415      0.911410      0.239576     Biso  1.000000 C
   C39        1.0     0.878802      0.412248      0.239829     Biso  1.000000 C
   C40        1.0     0.878292      0.911532      0.238977     Biso  1.000000 C
   C41        1.0     0.205296      0.074390      0.238323     Biso  1.000000 C
   C42        1.0     0.204711      0.575490      0.239011     Biso  1.000000 C
   C43        1.0     0.704880      0.075344      0.238577     Biso  1.000000 C
   C44        1.0     0.705486      0.575544      0.237944     Biso  1.000000 C
   C45        1.0     0.210055      0.330188      0.250062     Biso  1.000000 C
   C46        1.0     0.208382      0.828429      0.250565     Biso  1.000000 C
   C47        1.0     0.707432      0.330160      0.250087     Biso  1.000000 C
   C48        1.0     0.706982      0.825558      0.249122     Biso  1.000000 C
   C49        1.0     0.457896      0.074318      0.238304     Biso  1.000000 C
   C50        1.0     0.458520      0.575996      0.238001     Biso  1.000000 C
   C51        1.0     0.958689      0.075354      0.238274     Biso  1.000000 C
   C52        1.0     0.959134      0.575432      0.238997     Biso  1.000000 C
   C53        1.0     0.457784      0.327319      0.228335     Biso  1.000000 C
   C54        1.0     0.457580      0.827081      0.239243     Biso  1.000000 C
   C55        1.0     0.957603      0.327194      0.239361     Biso  1.000000 C
   C56        1.0     0.957986      0.827005      0.239126     Biso  1.000000 C
   N1         1.0     0.390002      0.343531      0.764561     Biso  1.000000 N
   N2         1.0     0.391829      0.847280      0.762911     Biso  1.000000 N
   N3         1.0     0.891669      0.347049      0.762324     Biso  1.000000 N
   N4         1.0     0.891880      0.847382      0.763331     Biso  1.000000 N
   N5         1.0     0.121324      0.154434      0.236731     Biso  1.000000 N
   N6         1.0     0.121451      0.654495      0.237948     Biso  1.000000 N
   N7         1.0     0.621271      0.154104      0.237238     Biso  1.000000 N
   N8         1.0     0.622944      0.657851      0.235613     Biso  1.000000 N
   H1         1.0     0.501814      0.576830      0.819213     Biso  1.000000 H
   H2         1.0     0.356697      0.273664      0.180903     Biso  1.000000 H
   H3         1.0     0.289829      0.374284      0.673120     Biso  1.000000 H
   H4         1.0     0.711547      0.625646      0.327022     Biso  1.000000 H
