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

# 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     0.000588      0.499573      0.448404     Biso  1.000000 Fe
   Fe2        1.0     0.000665      0.999517      0.448489     Biso  1.000000 Fe
   Fe3        1.0     0.500464      0.499408      0.448692     Biso  1.000000 Fe
   Fe4        1.0     0.500497      0.999604      0.448656     Biso  1.000000 Fe
   Fe5        1.0     0.499650      0.000488      0.551176     Biso  1.000000 Fe
   Fe6        1.0     0.499767      0.500673      0.551226     Biso  1.000000 Fe
   Fe7        1.0     0.999563      0.000565      0.551443     Biso  1.000000 Fe
   Fe8        1.0     0.999536      0.500366      0.551497     Biso  1.000000 Fe
   Fe9        1.0     0.004216      0.496771      0.373808     Biso  1.000000 Fe
   Fe10       1.0     0.002860      0.996712      0.373914     Biso  1.000000 Fe
   Fe11       1.0     0.504067      0.497606      0.374411     Biso  1.000000 Fe
   Fe12       1.0     0.504786      0.996401      0.374328     Biso  1.000000 Fe
   Fe13       1.0     0.495625      0.003673      0.625273     Biso  1.000000 Fe
   Fe14       1.0     0.495909      0.502809      0.625398     Biso  1.000000 Fe
   Fe15       1.0     0.997738      0.002935      0.625913     Biso  1.000000 Fe
   Fe16       1.0     0.995690      0.502709      0.625924     Biso  1.000000 Fe
   Fe17       1.0     0.331311      0.168041      0.568743     Biso  1.000000 Fe
   Fe18       1.0     0.330868      0.667881      0.568679     Biso  1.000000 Fe
   Fe19       1.0     0.831321      0.167923      0.568659     Biso  1.000000 Fe
   Fe20       1.0     0.831859      0.668049      0.568723     Biso  1.000000 Fe
   Fe21       1.0     0.329174      0.170822      0.666259     Biso  1.000000 Fe
   Fe22       1.0     0.328730      0.669056      0.664653     Biso  1.000000 Fe
   Fe23       1.0     0.828495      0.168796      0.664985     Biso  1.000000 Fe
   Fe24       1.0     0.827813      0.670098      0.665488     Biso  1.000000 Fe
   Fe25       1.0     0.333690      0.166610      0.491383     Biso  1.000000 Fe
   Fe26       1.0     0.333676      0.666558      0.491355     Biso  1.000000 Fe
   Fe27       1.0     0.833822      0.166683      0.491364     Biso  1.000000 Fe
   Fe28       1.0     0.833798      0.666646      0.491386     Biso  1.000000 Fe
   Fe29       1.0     0.337192      0.164399      0.383219     Biso  1.000000 Fe
   Fe30       1.0     0.337575      0.664766      0.382731     Biso  1.000000 Fe
   Fe31       1.0     0.838291      0.165045      0.382362     Biso  1.000000 Fe
   Fe32       1.0     0.837967      0.664894      0.382734     Biso  1.000000 Fe
   Fe33       1.0     0.173259      0.329880      0.334002     Biso  1.000000 Fe
   Fe34       1.0     0.172725      0.831438      0.334539     Biso  1.000000 Fe
   Fe35       1.0     0.671016      0.330780      0.334878     Biso  1.000000 Fe
   Fe36       1.0     0.671911      0.829397      0.333347     Biso  1.000000 Fe
   Fe37       1.0     0.168340      0.332216      0.431189     Biso  1.000000 Fe
   Fe38       1.0     0.168715      0.832008      0.431240     Biso  1.000000 Fe
   Fe39       1.0     0.669324      0.332183      0.431248     Biso  1.000000 Fe
   Fe40       1.0     0.668866      0.832148      0.431188     Biso  1.000000 Fe
   Fe41       1.0     0.162389      0.334928      0.617051     Biso  1.000000 Fe
   Fe42       1.0     0.162326      0.834975      0.617349     Biso  1.000000 Fe
   Fe43       1.0     0.662588      0.335641      0.616897     Biso  1.000000 Fe
   Fe44       1.0     0.663550      0.836078      0.616478     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     0.158717      0.001781      0.409963     Biso  1.000000 O
   O2         1.0     0.158914      0.502154      0.409777     Biso  1.000000 O
   O3         1.0     0.659373      0.002534      0.409730     Biso  1.000000 O
   O4         1.0     0.659346      0.502438      0.409927     Biso  1.000000 O
   O5         1.0     0.340471      0.497536      0.589955     Biso  1.000000 O
   O6         1.0     0.340521      0.997527      0.590010     Biso  1.000000 O
   O7         1.0     0.840998      0.497997      0.590037     Biso  1.000000 O
   O8         1.0     0.841620      0.998402      0.589881     Biso  1.000000 O
   O9         1.0     0.499297      0.150971      0.410268     Biso  1.000000 O
   O10        1.0     0.498709      0.650962      0.410120     Biso  1.000000 O
   O11        1.0     0.999013      0.151279      0.409704     Biso  1.000000 O
   O12        1.0     0.999461      0.651459      0.409833     Biso  1.000000 O
   O13        1.0     0.000859      0.348585      0.589891     Biso  1.000000 O
   O14        1.0     0.001673      0.849087      0.590025     Biso  1.000000 O
   O15        1.0     0.501048      0.349884      0.589690     Biso  1.000000 O
   O16        1.0     0.500846      0.849687      0.589529     Biso  1.000000 O
   O17        1.0     0.350363      0.342603      0.409941     Biso  1.000000 O
   O18        1.0     0.350978      0.842471      0.409835     Biso  1.000000 O
   O19        1.0     0.850721      0.342792      0.409577     Biso  1.000000 O
   O20        1.0     0.850502      0.842944      0.409678     Biso  1.000000 O
   O21        1.0     0.149988      0.157238      0.590121     Biso  1.000000 O
   O22        1.0     0.149597      0.657092      0.590238     Biso  1.000000 O
   O23        1.0     0.649295      0.158430      0.589686     Biso  1.000000 O
   O24        1.0     0.650040      0.658199      0.589731     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     0.175945      0.159583      0.351658     Biso  1.000000 O
   O30        1.0     0.176659      0.661128      0.351313     Biso  1.000000 O
   O31        1.0     0.675807      0.160283      0.351461     Biso  1.000000 O
   O32        1.0     0.675656      0.660231      0.351711     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     0.342449      0.006355      0.351931     Biso  1.000000 O
   O38        1.0     0.341439      0.505863      0.351498     Biso  1.000000 O
   O39        1.0     0.840893      0.005989      0.350434     Biso  1.000000 O
   O40        1.0     0.841579      0.506944      0.350898     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     0.495687      0.325682      0.351404     Biso  1.000000 O
   O46        1.0     0.497418      0.826014      0.350582     Biso  1.000000 O
   O47        1.0     0.997631      0.326062      0.349981     Biso  1.000000 O
   O48        1.0     0.996715      0.825863      0.350487     Biso  1.000000 O
   O49        1.0     0.324525      0.340069      0.648327     Biso  1.000000 O
   O50        1.0     0.324594      0.840047      0.648338     Biso  1.000000 O
   O51        1.0     0.823265      0.338792      0.648502     Biso  1.000000 O
   O52        1.0     0.824307      0.840302      0.648242     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     0.157938      0.492611      0.648907     Biso  1.000000 O
   O58        1.0     0.160034      0.994331      0.649345     Biso  1.000000 O
   O59        1.0     0.658682      0.494819      0.648179     Biso  1.000000 O
   O60        1.0     0.658341      0.994535      0.647649     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     0.004501      0.174129      0.649122     Biso  1.000000 O
   O66        1.0     0.003254      0.674127      0.649480     Biso  1.000000 O
   O67        1.0     0.503258      0.174744      0.648536     Biso  1.000000 O
   O68        1.0     0.504201      0.675220      0.647954     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     0.333958      0.196728      0.715430     Biso  1.000000 O
   O74        1.0     0.327413      0.679225      0.713967     Biso  1.000000 O
   O75        1.0     0.802091      0.156782      0.714203     Biso  1.000000 O
   O76        1.0     0.799600      0.675919      0.714273     Biso  1.000000 O
   O77        1.0     0.211144      0.322543      0.285540     Biso  1.000000 O
   O78        1.0     0.206550      0.842911      0.285464     Biso  1.000000 O
   O79        1.0     0.678994      0.319662      0.285566     Biso  1.000000 O
   O80        1.0     0.678175      0.800876      0.284409     Biso  1.000000 O
   O81        1.0     0.370800      0.290326      0.807728     Biso  1.000000 O
   O82        1.0     0.638142      0.708971      0.191960     Biso  1.000000 O
   C1         1.0     0.315126      0.173512      0.751317     Biso  1.000000 C
   C2         1.0     0.317395      0.671520      0.750349     Biso  1.000000 C
   C3         1.0     0.810780      0.165884      0.750608     Biso  1.000000 C
   C4         1.0     0.807496      0.674145      0.750886     Biso  1.000000 C
   C5         1.0     0.306902      0.416786      0.762387     Biso  1.000000 C
   C6         1.0     0.312213      0.922299      0.759540     Biso  1.000000 C
   C7         1.0     0.814463      0.423152      0.759254     Biso  1.000000 C
   C8         1.0     0.065529      0.170678      0.759836     Biso  1.000000 C
   C9         1.0     0.061398      0.670407      0.758542     Biso  1.000000 C
   C10        1.0     0.560013      0.169974      0.761041     Biso  1.000000 C
   C11        1.0     0.061308      0.422666      0.758791     Biso  1.000000 C
   C12        1.0     0.064559      0.923718      0.758949     Biso  1.000000 C
   C13        1.0     0.563668      0.418105      0.762855     Biso  1.000000 C
   C14        1.0     0.397103      0.085376      0.759642     Biso  1.000000 C
   C15        1.0     0.396934      0.577556      0.760322     Biso  1.000000 C
   C16        1.0     0.903558      0.083985      0.759645     Biso  1.000000 C
   C17        1.0     0.896389      0.587313      0.758669     Biso  1.000000 C
   C18        1.0     0.144028      0.086392      0.758593     Biso  1.000000 C
   C19        1.0     0.142443      0.586424      0.758331     Biso  1.000000 C
   C20        1.0     0.637630      0.086043      0.760131     Biso  1.000000 C
   C21        1.0     0.633878      0.580095      0.760570     Biso  1.000000 C
   C22        1.0     0.146669      0.338397      0.760002     Biso  1.000000 C
   C23        1.0     0.145293      0.837821      0.758581     Biso  1.000000 C
   C24        1.0     0.645439      0.339150      0.760901     Biso  1.000000 C
   C25        1.0     0.112187      0.410521      0.241172     Biso  1.000000 C
   C26        1.0     0.105439      0.914059      0.239801     Biso  1.000000 C
   C27        1.0     0.611597      0.419980      0.238982     Biso  1.000000 C
   C28        1.0     0.611686      0.912052      0.240284     Biso  1.000000 C
   C29        1.0     0.363144      0.658447      0.239020     Biso  1.000000 C
   C30        1.0     0.863492      0.159901      0.241093     Biso  1.000000 C
   C31        1.0     0.861970      0.659453      0.239457     Biso  1.000000 C
   C32        1.0     0.374797      0.417569      0.239049     Biso  1.000000 C
   C33        1.0     0.371242      0.911517      0.239685     Biso  1.000000 C
   C34        1.0     0.866130      0.411296      0.241314     Biso  1.000000 C
   C35        1.0     0.864962      0.911531      0.240856     Biso  1.000000 C
   C36        1.0     0.194069      0.574721      0.240630     Biso  1.000000 C
   C37        1.0     0.696608      0.075255      0.240246     Biso  1.000000 C
   C38        1.0     0.701733      0.580845      0.236981     Biso  1.000000 C
   C39        1.0     0.201264      0.323744      0.248898     Biso  1.000000 C
   C40        1.0     0.197841      0.832163      0.249055     Biso  1.000000 C
   C41        1.0     0.690997      0.326293      0.249197     Biso  1.000000 C
   C42        1.0     0.694161      0.824197      0.248445     Biso  1.000000 C
   C43        1.0     0.444972      0.579678      0.236839     Biso  1.000000 C
   C44        1.0     0.944456      0.074252      0.240664     Biso  1.000000 C
   C45        1.0     0.947301      0.575167      0.240839     Biso  1.000000 C
   C46        1.0     0.448736      0.827475      0.238892     Biso  1.000000 C
   C47        1.0     0.947183      0.327301      0.241192     Biso  1.000000 C
   C48        1.0     0.943444      0.827274      0.239548     Biso  1.000000 C
   C49        1.0     0.391409      0.329332      0.770381     Biso  1.000000 C
   C50        1.0     0.397293      0.844760      0.759370     Biso  1.000000 C
   C51        1.0     0.897137      0.341343      0.758549     Biso  1.000000 C
   C52        1.0     0.900436      0.849015      0.759307     Biso  1.000000 C
   C53        1.0     0.108555      0.148984      0.240424     Biso  1.000000 C
   C54        1.0     0.111464      0.656578      0.241184     Biso  1.000000 C
   C55        1.0     0.611597      0.152803      0.240341     Biso  1.000000 C
   C56        1.0     0.617317      0.668583      0.229231     Biso  1.000000 C
   N1         1.0     0.828622      0.930513      0.759647     Biso  1.000000 N
   N2         1.0     0.550911      0.651503      0.760317     Biso  1.000000 N
   N3         1.0     0.552570      0.929916      0.759553     Biso  1.000000 N
   N4         1.0     0.180382      0.067534      0.239991     Biso  1.000000 N
   N5         1.0     0.456311      0.067653      0.240182     Biso  1.000000 N
   N6         1.0     0.457609      0.346096      0.239046     Biso  1.000000 N
   H1         1.0     0.414667      0.385356      0.820844     Biso  1.000000 H
   H2         1.0     0.595341      0.614559      0.178619     Biso  1.000000 H
   H3         1.0     0.613404      0.870261      0.758161     Biso  1.000000 H
   H4         1.0     0.395511      0.127295      0.241518     Biso  1.000000 H
