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

# 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     0.000783      0.499266      0.448117     Biso  1.000000 Fe
   Fe2        1.0     0.000465      0.999670      0.448209     Biso  1.000000 Fe
   Fe3        1.0     0.500106      0.498991      0.448804     Biso  1.000000 Fe
   Fe4        1.0     0.501298      0.000910      0.449254     Biso  1.000000 Fe
   Fe5        1.0     0.499219      0.000053      0.551240     Biso  1.000000 Fe
   Fe6        1.0     0.500057      0.500638      0.551078     Biso  1.000000 Fe
   Fe7        1.0     0.999456      0.000522      0.551682     Biso  1.000000 Fe
   Fe8        1.0     0.999197      0.500557      0.551712     Biso  1.000000 Fe
   Fe9        1.0     0.001781      0.494690      0.373028     Biso  1.000000 Fe
   Fe10       1.0     0.001133      0.994769      0.373202     Biso  1.000000 Fe
   Fe11       1.0     0.497396      0.490705      0.374979     Biso  1.000000 Fe
   Fe12       1.0     0.500953      0.994093      0.375637     Biso  1.000000 Fe
   Fe13       1.0     0.498207      0.003666      0.625122     Biso  1.000000 Fe
   Fe14       1.0     0.503456      0.510000      0.624648     Biso  1.000000 Fe
   Fe15       1.0     0.999581      0.003923      0.626521     Biso  1.000000 Fe
   Fe16       1.0     0.997532      0.503841      0.626588     Biso  1.000000 Fe
   Fe17       1.0     0.332568      0.167902      0.568660     Biso  1.000000 Fe
   Fe18       1.0     0.331650      0.667997      0.568705     Biso  1.000000 Fe
   Fe19       1.0     0.829708      0.166616      0.568305     Biso  1.000000 Fe
   Fe20       1.0     0.833439      0.668923      0.568727     Biso  1.000000 Fe
   Fe21       1.0     0.331927      0.157337      0.667865     Biso  1.000000 Fe
   Fe22       1.0     0.330426      0.672352      0.664898     Biso  1.000000 Fe
   Fe23       1.0     0.830011      0.169256      0.665440     Biso  1.000000 Fe
   Fe24       1.0     0.829969      0.671211      0.665764     Biso  1.000000 Fe
   Fe25       1.0     0.333279      0.166814      0.491392     Biso  1.000000 Fe
   Fe26       1.0     0.333179      0.666088      0.491486     Biso  1.000000 Fe
   Fe27       1.0     0.834287      0.166976      0.491396     Biso  1.000000 Fe
   Fe28       1.0     0.833957      0.666568      0.491469     Biso  1.000000 Fe
   Fe29       1.0     0.334524      0.163208      0.383784     Biso  1.000000 Fe
   Fe30       1.0     0.334805      0.660522      0.381845     Biso  1.000000 Fe
   Fe31       1.0     0.838814      0.165433      0.382558     Biso  1.000000 Fe
   Fe32       1.0     0.843344      0.664485      0.385195     Biso  1.000000 Fe
   Fe33       1.0     0.170314      0.327198      0.333788     Biso  1.000000 Fe
   Fe34       1.0     0.172550      0.830230      0.334328     Biso  1.000000 Fe
   Fe35       1.0     0.667288      0.325005      0.334936     Biso  1.000000 Fe
   Fe36       1.0     0.669102      0.843100      0.331615     Biso  1.000000 Fe
   Fe37       1.0     0.166552      0.331418      0.431318     Biso  1.000000 Fe
   Fe38       1.0     0.169549      0.833606      0.431744     Biso  1.000000 Fe
   Fe39       1.0     0.669234      0.332694      0.431317     Biso  1.000000 Fe
   Fe40       1.0     0.667096      0.830515      0.431326     Biso  1.000000 Fe
   Fe41       1.0     0.157093      0.334704      0.614733     Biso  1.000000 Fe
   Fe42       1.0     0.163219      0.834576      0.617113     Biso  1.000000 Fe
   Fe43       1.0     0.664969      0.336869      0.617265     Biso  1.000000 Fe
   Fe44       1.0     0.666626      0.838509      0.616406     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     0.157888      0.000131      0.410241     Biso  1.000000 O
   O2         1.0     0.158157      0.500738      0.409763     Biso  1.000000 O
   O3         1.0     0.656577      0.001832      0.409424     Biso  1.000000 O
   O4         1.0     0.659133      0.502806      0.409747     Biso  1.000000 O
   O5         1.0     0.341048      0.497052      0.590245     Biso  1.000000 O
   O6         1.0     0.341663      0.997973      0.590059     Biso  1.000000 O
   O7         1.0     0.841830      0.499093      0.589962     Biso  1.000000 O
   O8         1.0     0.843293      0.999920      0.589631     Biso  1.000000 O
   O9         1.0     0.498557      0.151946      0.410817     Biso  1.000000 O
   O10        1.0     0.502347      0.652151      0.408601     Biso  1.000000 O
   O11        1.0     0.997039      0.149654      0.409887     Biso  1.000000 O
   O12        1.0     0.001913      0.651540      0.410613     Biso  1.000000 O
   O13        1.0     0.998891      0.348463      0.589288     Biso  1.000000 O
   O14        1.0     0.003143      0.850269      0.590092     Biso  1.000000 O
   O15        1.0     0.497809      0.348544      0.591125     Biso  1.000000 O
   O16        1.0     0.501813      0.849042      0.589458     Biso  1.000000 O
   O17        1.0     0.347892      0.340609      0.410626     Biso  1.000000 O
   O18        1.0     0.353422      0.843200      0.409347     Biso  1.000000 O
   O19        1.0     0.848597      0.342025      0.409453     Biso  1.000000 O
   O20        1.0     0.845740      0.840362      0.409249     Biso  1.000000 O
   O21        1.0     0.154638      0.159530      0.590690     Biso  1.000000 O
   O22        1.0     0.151097      0.656870      0.590329     Biso  1.000000 O
   O23        1.0     0.649337      0.158945      0.589690     Biso  1.000000 O
   O24        1.0     0.652434      0.660001      0.589191     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     0.176150      0.158804      0.351582     Biso  1.000000 O
   O30        1.0     0.175054      0.660167      0.350933     Biso  1.000000 O
   O31        1.0     0.667321      0.150990      0.351743     Biso  1.000000 O
   O32        1.0     0.677683      0.660257      0.347472     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     0.344534      0.005626      0.352743     Biso  1.000000 O
   O38        1.0     0.338757      0.502994      0.351098     Biso  1.000000 O
   O39        1.0     0.839553      0.007623      0.349735     Biso  1.000000 O
   O40        1.0     0.835272      0.505044      0.351013     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     0.494848      0.324222      0.351265     Biso  1.000000 O
   O46        1.0     0.493900      0.825803      0.350031     Biso  1.000000 O
   O47        1.0     0.993931      0.323021      0.349549     Biso  1.000000 O
   O48        1.0     0.996166      0.822316      0.350858     Biso  1.000000 O
   O49        1.0     0.323929      0.340806      0.652523     Biso  1.000000 O
   O50        1.0     0.326090      0.842097      0.648446     Biso  1.000000 O
   O51        1.0     0.824602      0.339017      0.648710     Biso  1.000000 O
   O52        1.0     0.824664      0.840213      0.648228     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     0.162150      0.491614      0.649034     Biso  1.000000 O
   O58        1.0     0.161440      0.992104      0.649962     Biso  1.000000 O
   O59        1.0     0.660743      0.496451      0.648335     Biso  1.000000 O
   O60        1.0     0.660943      0.995513      0.647577     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     0.007098      0.176840      0.649120     Biso  1.000000 O
   O66        1.0     0.005377      0.675069      0.649813     Biso  1.000000 O
   O67        1.0     0.506910      0.173800      0.649516     Biso  1.000000 O
   O68        1.0     0.504606      0.675263      0.648130     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     0.328189      0.203167      0.715500     Biso  1.000000 O
   O74        1.0     0.326021      0.670069      0.714113     Biso  1.000000 O
   O75        1.0     0.807370      0.161852      0.714587     Biso  1.000000 O
   O76        1.0     0.802171      0.674659      0.714433     Biso  1.000000 O
   O77        1.0     0.206586      0.324715      0.285392     Biso  1.000000 O
   O78        1.0     0.199603      0.838594      0.285349     Biso  1.000000 O
   O79        1.0     0.681791      0.325592      0.285895     Biso  1.000000 O
   O80        1.0     0.679465      0.794515      0.284301     Biso  1.000000 O
   O81        1.0     0.371097      0.290473      0.808159     Biso  1.000000 O
   O82        1.0     0.638170      0.708626      0.191568     Biso  1.000000 O
   C1         1.0     0.314325      0.174136      0.751562     Biso  1.000000 C
   C2         1.0     0.319249      0.672806      0.750743     Biso  1.000000 C
   C3         1.0     0.809216      0.164293      0.751212     Biso  1.000000 C
   C4         1.0     0.807916      0.672803      0.751079     Biso  1.000000 C
   C5         1.0     0.307026      0.416804      0.762821     Biso  1.000000 C
   C6         1.0     0.312425      0.923203      0.759101     Biso  1.000000 C
   C7         1.0     0.814661      0.422554      0.759508     Biso  1.000000 C
   C8         1.0     0.064711      0.169872      0.760482     Biso  1.000000 C
   C9         1.0     0.062131      0.670299      0.758487     Biso  1.000000 C
   C10        1.0     0.559050      0.169789      0.760612     Biso  1.000000 C
   C11        1.0     0.061625      0.422625      0.759190     Biso  1.000000 C
   C12        1.0     0.064946      0.923360      0.759017     Biso  1.000000 C
   C13        1.0     0.563606      0.417020      0.763308     Biso  1.000000 C
   C14        1.0     0.396546      0.086092      0.759181     Biso  1.000000 C
   C15        1.0     0.398983      0.578443      0.760500     Biso  1.000000 C
   C16        1.0     0.902029      0.081681      0.759871     Biso  1.000000 C
   C17        1.0     0.896836      0.586517      0.758740     Biso  1.000000 C
   C18        1.0     0.143631      0.086163      0.759018     Biso  1.000000 C
   C19        1.0     0.143554      0.586602      0.758415     Biso  1.000000 C
   C20        1.0     0.633663      0.081643      0.759792     Biso  1.000000 C
   C21        1.0     0.633590      0.578481      0.760645     Biso  1.000000 C
   C22        1.0     0.146732      0.338242      0.760610     Biso  1.000000 C
   C23        1.0     0.145943      0.838144      0.758448     Biso  1.000000 C
   C24        1.0     0.645080      0.338328      0.760982     Biso  1.000000 C
   C25        1.0     0.111000      0.411142      0.241094     Biso  1.000000 C
   C26        1.0     0.105951      0.915913      0.239815     Biso  1.000000 C
   C27        1.0     0.608779      0.418757      0.239334     Biso  1.000000 C
   C28        1.0     0.611396      0.911367      0.240564     Biso  1.000000 C
   C29        1.0     0.362765      0.659230      0.238821     Biso  1.000000 C
   C30        1.0     0.862063      0.159451      0.241305     Biso  1.000000 C
   C31        1.0     0.860954      0.659289      0.239153     Biso  1.000000 C
   C32        1.0     0.374317      0.419079      0.239085     Biso  1.000000 C
   C33        1.0     0.374335      0.915734      0.240125     Biso  1.000000 C
   C34        1.0     0.864215      0.410943      0.241437     Biso  1.000000 C
   C35        1.0     0.864324      0.911425      0.240735     Biso  1.000000 C
   C36        1.0     0.193295      0.575235      0.240397     Biso  1.000000 C
   C37        1.0     0.695632      0.074289      0.240693     Biso  1.000000 C
   C38        1.0     0.700641      0.580345      0.236803     Biso  1.000000 C
   C39        1.0     0.199978      0.324898      0.248698     Biso  1.000000 C
   C40        1.0     0.198548      0.833561      0.248708     Biso  1.000000 C
   C41        1.0     0.688479      0.324549      0.249239     Biso  1.000000 C
   C42        1.0     0.693668      0.823357      0.248198     Biso  1.000000 C
   C43        1.0     0.444326      0.580584      0.236347     Biso  1.000000 C
   C44        1.0     0.943145      0.074295      0.240737     Biso  1.000000 C
   C45        1.0     0.946252      0.574984      0.240682     Biso  1.000000 C
   C46        1.0     0.448770      0.827542      0.239166     Biso  1.000000 C
   C47        1.0     0.945771      0.327321      0.241331     Biso  1.000000 C
   C48        1.0     0.943163      0.827689      0.239264     Biso  1.000000 C
   C49        1.0     0.391188      0.328930      0.770849     Biso  1.000000 C
   C50        1.0     0.401632      0.848499      0.759043     Biso  1.000000 C
   C51        1.0     0.897025      0.340294      0.758973     Biso  1.000000 C
   C52        1.0     0.900922      0.848535      0.759369     Biso  1.000000 C
   C53        1.0     0.107203      0.149096      0.240441     Biso  1.000000 C
   C54        1.0     0.110894      0.657395      0.240993     Biso  1.000000 C
   C55        1.0     0.606385      0.148889      0.240846     Biso  1.000000 C
   C56        1.0     0.616839      0.668658      0.228806     Biso  1.000000 C
   N1         1.0     0.829565      0.928792      0.759658     Biso  1.000000 N
   N2         1.0     0.552022      0.649861      0.760008     Biso  1.000000 N
   N3         1.0     0.553327      0.928827      0.759214     Biso  1.000000 N
   N4         1.0     0.178539      0.068848      0.240065     Biso  1.000000 N
   N5         1.0     0.454704      0.068521      0.240771     Biso  1.000000 N
   N6         1.0     0.455728      0.347541      0.239852     Biso  1.000000 N
   H1         1.0     0.415599      0.385619      0.821226     Biso  1.000000 H
   H2         1.0     0.594879      0.614134      0.178275     Biso  1.000000 H
   H3         1.0     0.293887      0.377764      0.673042     Biso  1.000000 H
   H4         1.0     0.707680      0.623661      0.326878     Biso  1.000000 H
