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

# 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     0.000493      0.499422      0.448549     Biso  1.000000 Fe
   Fe2        1.0     0.000501      0.999551      0.448613     Biso  1.000000 Fe
   Fe3        1.0     0.500617      0.499495      0.448551     Biso  1.000000 Fe
   Fe4        1.0     0.500434      0.999412      0.448587     Biso  1.000000 Fe
   Fe5        1.0     0.499729      0.000430      0.551436     Biso  1.000000 Fe
   Fe6        1.0     0.499624      0.500388      0.551410     Biso  1.000000 Fe
   Fe7        1.0     0.999603      0.000274      0.551334     Biso  1.000000 Fe
   Fe8        1.0     0.999724      0.500541      0.551577     Biso  1.000000 Fe
   Fe9        1.0     0.004163      0.496247      0.373841     Biso  1.000000 Fe
   Fe10       1.0     0.003863      0.995942      0.374076     Biso  1.000000 Fe
   Fe11       1.0     0.503610      0.496182      0.373981     Biso  1.000000 Fe
   Fe12       1.0     0.503925      0.996309      0.374032     Biso  1.000000 Fe
   Fe13       1.0     0.496175      0.002882      0.625955     Biso  1.000000 Fe
   Fe14       1.0     0.496641      0.502822      0.625863     Biso  1.000000 Fe
   Fe15       1.0     0.996507      0.003348      0.625743     Biso  1.000000 Fe
   Fe16       1.0     0.996535      0.502824      0.626284     Biso  1.000000 Fe
   Fe17       1.0     0.331522      0.167699      0.569008     Biso  1.000000 Fe
   Fe18       1.0     0.331456      0.667714      0.568968     Biso  1.000000 Fe
   Fe19       1.0     0.831722      0.168171      0.568974     Biso  1.000000 Fe
   Fe20       1.0     0.831490      0.667502      0.568967     Biso  1.000000 Fe
   Fe21       1.0     0.327766      0.169504      0.666025     Biso  1.000000 Fe
   Fe22       1.0     0.329487      0.670126      0.666418     Biso  1.000000 Fe
   Fe23       1.0     0.827767      0.168621      0.666439     Biso  1.000000 Fe
   Fe24       1.0     0.828092      0.670209      0.666264     Biso  1.000000 Fe
   Fe25       1.0     0.333822      0.166644      0.491442     Biso  1.000000 Fe
   Fe26       1.0     0.333730      0.666578      0.491447     Biso  1.000000 Fe
   Fe27       1.0     0.833719      0.166645      0.491437     Biso  1.000000 Fe
   Fe28       1.0     0.833735      0.666550      0.491442     Biso  1.000000 Fe
   Fe29       1.0     0.337848      0.164460      0.382674     Biso  1.000000 Fe
   Fe30       1.0     0.337578      0.664452      0.382601     Biso  1.000000 Fe
   Fe31       1.0     0.838018      0.164576      0.382579     Biso  1.000000 Fe
   Fe32       1.0     0.837844      0.663700      0.382550     Biso  1.000000 Fe
   Fe33       1.0     0.173104      0.329585      0.333485     Biso  1.000000 Fe
   Fe34       1.0     0.173175      0.830828      0.333511     Biso  1.000000 Fe
   Fe35       1.0     0.671537      0.329264      0.333500     Biso  1.000000 Fe
   Fe36       1.0     0.672442      0.829431      0.333912     Biso  1.000000 Fe
   Fe37       1.0     0.168717      0.331986      0.431106     Biso  1.000000 Fe
   Fe38       1.0     0.168602      0.831767      0.431114     Biso  1.000000 Fe
   Fe39       1.0     0.668823      0.331912      0.431090     Biso  1.000000 Fe
   Fe40       1.0     0.668782      0.831948      0.431075     Biso  1.000000 Fe
   Fe41       1.0     0.162663      0.335670      0.617561     Biso  1.000000 Fe
   Fe42       1.0     0.162412      0.834615      0.617346     Biso  1.000000 Fe
   Fe43       1.0     0.663069      0.335129      0.617440     Biso  1.000000 Fe
   Fe44       1.0     0.662476      0.835098      0.617349     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     0.158692      0.002030      0.409773     Biso  1.000000 O
   O2         1.0     0.158950      0.502012      0.409707     Biso  1.000000 O
   O3         1.0     0.658905      0.002026      0.409716     Biso  1.000000 O
   O4         1.0     0.659098      0.502151      0.409858     Biso  1.000000 O
   O5         1.0     0.341132      0.497634      0.590217     Biso  1.000000 O
   O6         1.0     0.340993      0.997519      0.590219     Biso  1.000000 O
   O7         1.0     0.841212      0.497710      0.590278     Biso  1.000000 O
   O8         1.0     0.841415      0.997766      0.590186     Biso  1.000000 O
   O9         1.0     0.498559      0.150747      0.410035     Biso  1.000000 O
   O10        1.0     0.498888      0.650939      0.409843     Biso  1.000000 O
   O11        1.0     0.998531      0.150766      0.410040     Biso  1.000000 O
   O12        1.0     0.999107      0.650691      0.409822     Biso  1.000000 O
   O13        1.0     0.001699      0.348935      0.590192     Biso  1.000000 O
   O14        1.0     0.001601      0.848928      0.589907     Biso  1.000000 O
   O15        1.0     0.501681      0.348973      0.590013     Biso  1.000000 O
   O16        1.0     0.501599      0.848962      0.589990     Biso  1.000000 O
   O17        1.0     0.350937      0.342675      0.409637     Biso  1.000000 O
   O18        1.0     0.350735      0.842493      0.409720     Biso  1.000000 O
   O19        1.0     0.850966      0.342534      0.409603     Biso  1.000000 O
   O20        1.0     0.851091      0.842316      0.409613     Biso  1.000000 O
   O21        1.0     0.149336      0.157204      0.590340     Biso  1.000000 O
   O22        1.0     0.149725      0.657113      0.590299     Biso  1.000000 O
   O23        1.0     0.649679      0.157236      0.590220     Biso  1.000000 O
   O24        1.0     0.649640      0.657189      0.590228     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     0.175577      0.159831      0.351654     Biso  1.000000 O
   O30        1.0     0.175934      0.660511      0.351380     Biso  1.000000 O
   O31        1.0     0.675813      0.160010      0.351473     Biso  1.000000 O
   O32        1.0     0.675816      0.659055      0.351558     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     0.341209      0.005680      0.351414     Biso  1.000000 O
   O38        1.0     0.341263      0.505825      0.350993     Biso  1.000000 O
   O39        1.0     0.841819      0.005763      0.351304     Biso  1.000000 O
   O40        1.0     0.841159      0.504977      0.350985     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     0.497216      0.325518      0.350522     Biso  1.000000 O
   O46        1.0     0.496892      0.825395      0.350383     Biso  1.000000 O
   O47        1.0     0.998030      0.325759      0.350153     Biso  1.000000 O
   O48        1.0     0.997645      0.825602      0.350321     Biso  1.000000 O
   O49        1.0     0.324267      0.339613      0.648385     Biso  1.000000 O
   O50        1.0     0.324059      0.839114      0.648583     Biso  1.000000 O
   O51        1.0     0.824124      0.338687      0.648768     Biso  1.000000 O
   O52        1.0     0.824710      0.839898      0.648306     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     0.159813      0.494225      0.649271     Biso  1.000000 O
   O58        1.0     0.158020      0.993516      0.648684     Biso  1.000000 O
   O59        1.0     0.659185      0.494099      0.648954     Biso  1.000000 O
   O60        1.0     0.659209      0.994080      0.648676     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     0.003023      0.173736      0.649492     Biso  1.000000 O
   O66        1.0     0.003012      0.674101      0.649566     Biso  1.000000 O
   O67        1.0     0.502835      0.173828      0.649266     Biso  1.000000 O
   O68        1.0     0.503533      0.673890      0.649225     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     0.305027      0.176160      0.714578     Biso  1.000000 O
   O74        1.0     0.309885      0.678286      0.715648     Biso  1.000000 O
   O75        1.0     0.803620      0.172566      0.715622     Biso  1.000000 O
   O76        1.0     0.804494      0.678715      0.715317     Biso  1.000000 O
   O77        1.0     0.211602      0.322046      0.284924     Biso  1.000000 O
   O78        1.0     0.209719      0.829322      0.284720     Biso  1.000000 O
   O79        1.0     0.701867      0.322368      0.284596     Biso  1.000000 O
   O80        1.0     0.709597      0.824734      0.285814     Biso  1.000000 O
   C1         1.0     0.305929      0.176296      0.751749     Biso  1.000000 C
   C2         1.0     0.312137      0.679392      0.752420     Biso  1.000000 C
   C3         1.0     0.802940      0.170207      0.752403     Biso  1.000000 C
   C4         1.0     0.803018      0.679411      0.752105     Biso  1.000000 C
   C5         1.0     0.305664      0.423346      0.761484     Biso  1.000000 C
   C6         1.0     0.305436      0.929129      0.761493     Biso  1.000000 C
   C7         1.0     0.806677      0.426805      0.761088     Biso  1.000000 C
   C8         1.0     0.058810      0.176481      0.761558     Biso  1.000000 C
   C9         1.0     0.055405      0.675483      0.761052     Biso  1.000000 C
   C10        1.0     0.553041      0.176710      0.761517     Biso  1.000000 C
   C11        1.0     0.055429      0.426793      0.761084     Biso  1.000000 C
   C12        1.0     0.058635      0.929071      0.761463     Biso  1.000000 C
   C13        1.0     0.553128      0.423560      0.761515     Biso  1.000000 C
   C14        1.0     0.389793      0.092417      0.760911     Biso  1.000000 C
   C15        1.0     0.394835      0.586992      0.760789     Biso  1.000000 C
   C16        1.0     0.895158      0.087397      0.760827     Biso  1.000000 C
   C17        1.0     0.890185      0.591982      0.760680     Biso  1.000000 C
   C18        1.0     0.137903      0.092357      0.760880     Biso  1.000000 C
   C19        1.0     0.137194      0.591938      0.760735     Biso  1.000000 C
   C20        1.0     0.627318      0.087446      0.760760     Biso  1.000000 C
   C21        1.0     0.627462      0.587100      0.760578     Biso  1.000000 C
   C22        1.0     0.139488      0.342639      0.761192     Biso  1.000000 C
   C23        1.0     0.139314      0.843552      0.761145     Biso  1.000000 C
   C24        1.0     0.638615      0.342837      0.761197     Biso  1.000000 C
   C25        1.0     0.124021      0.409860      0.239490     Biso  1.000000 C
   C26        1.0     0.118862      0.914522      0.239437     Biso  1.000000 C
   C27        1.0     0.619147      0.414956      0.239391     Biso  1.000000 C
   C28        1.0     0.624437      0.909292      0.239403     Biso  1.000000 C
   C29        1.0     0.375627      0.659008      0.238980     Biso  1.000000 C
   C30        1.0     0.874848      0.158230      0.239124     Biso  1.000000 C
   C31        1.0     0.874669      0.659066      0.238956     Biso  1.000000 C
   C32        1.0     0.386644      0.414914      0.239643     Biso  1.000000 C
   C33        1.0     0.386722      0.914232      0.239587     Biso  1.000000 C
   C34        1.0     0.876777      0.409736      0.239427     Biso  1.000000 C
   C35        1.0     0.876133      0.909422      0.239371     Biso  1.000000 C
   C36        1.0     0.207428      0.575075      0.239059     Biso  1.000000 C
   C37        1.0     0.708727      0.072614      0.238805     Biso  1.000000 C
   C38        1.0     0.708585      0.578596      0.238674     Biso  1.000000 C
   C39        1.0     0.211193      0.322449      0.248077     Biso  1.000000 C
   C40        1.0     0.210961      0.831582      0.247909     Biso  1.000000 C
   C41        1.0     0.701463      0.322290      0.247793     Biso  1.000000 C
   C42        1.0     0.708153      0.825445      0.248606     Biso  1.000000 C
   C43        1.0     0.461106      0.578502      0.238689     Biso  1.000000 C
   C44        1.0     0.955266      0.072659      0.238853     Biso  1.000000 C
   C45        1.0     0.958663      0.574881      0.239051     Biso  1.000000 C
   C46        1.0     0.461176      0.825039      0.238714     Biso  1.000000 C
   C47        1.0     0.958692      0.326418      0.239175     Biso  1.000000 C
   C48        1.0     0.955115      0.825188      0.238624     Biso  1.000000 C
   C49        1.0     0.389821      0.344257      0.760870     Biso  1.000000 C
   C50        1.0     0.394727      0.854897      0.760782     Biso  1.000000 C
   C51        1.0     0.890217      0.344969      0.760763     Biso  1.000000 C
   C52        1.0     0.895054      0.854800      0.760643     Biso  1.000000 C
   C53        1.0     0.118981      0.147110      0.239642     Biso  1.000000 C
   C54        1.0     0.123939      0.656865      0.239372     Biso  1.000000 C
   C55        1.0     0.619285      0.146816      0.239479     Biso  1.000000 C
   C56        1.0     0.624376      0.657695      0.239326     Biso  1.000000 C
   N1         1.0     0.823098      0.934964      0.760266     Biso  1.000000 N
   N2         1.0     0.547264      0.659010      0.760176     Biso  1.000000 N
   N3         1.0     0.547008      0.935200      0.760322     Biso  1.000000 N
   N4         1.0     0.190917      0.066809      0.240025     Biso  1.000000 N
   N5         1.0     0.467008      0.066419      0.239987     Biso  1.000000 N
   N6         1.0     0.466832      0.342927      0.240019     Biso  1.000000 N
