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

# 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     0.000892      0.499555      0.448372     Biso  1.000000 Fe
   Fe2        1.0     0.000605      0.999610      0.448340     Biso  1.000000 Fe
   Fe3        1.0     0.500427      0.499678      0.448714     Biso  1.000000 Fe
   Fe4        1.0     0.501084      0.000008      0.448698     Biso  1.000000 Fe
   Fe5        1.0     0.499044      0.999829      0.551399     Biso  1.000000 Fe
   Fe6        1.0     0.499914      0.500305      0.551312     Biso  1.000000 Fe
   Fe7        1.0     0.999375      0.000249      0.551700     Biso  1.000000 Fe
   Fe8        1.0     0.999219      0.500363      0.551713     Biso  1.000000 Fe
   Fe9        1.0     0.002843      0.496310      0.373376     Biso  1.000000 Fe
   Fe10       1.0     0.002412      0.996141      0.373488     Biso  1.000000 Fe
   Fe11       1.0     0.496605      0.490174      0.374686     Biso  1.000000 Fe
   Fe12       1.0     0.501495      0.997823      0.374556     Biso  1.000000 Fe
   Fe13       1.0     0.499021      0.001664      0.625585     Biso  1.000000 Fe
   Fe14       1.0     0.503766      0.508653      0.625291     Biso  1.000000 Fe
   Fe15       1.0     0.998447      0.003360      0.626551     Biso  1.000000 Fe
   Fe16       1.0     0.998121      0.502901      0.626621     Biso  1.000000 Fe
   Fe17       1.0     0.332417      0.167193      0.568809     Biso  1.000000 Fe
   Fe18       1.0     0.331974      0.667136      0.568867     Biso  1.000000 Fe
   Fe19       1.0     0.829794      0.165919      0.568451     Biso  1.000000 Fe
   Fe20       1.0     0.833173      0.668212      0.568834     Biso  1.000000 Fe
   Fe21       1.0     0.330994      0.154141      0.667551     Biso  1.000000 Fe
   Fe22       1.0     0.329541      0.671206      0.665756     Biso  1.000000 Fe
   Fe23       1.0     0.829532      0.169069      0.666208     Biso  1.000000 Fe
   Fe24       1.0     0.830690      0.669733      0.665822     Biso  1.000000 Fe
   Fe25       1.0     0.333302      0.166552      0.491378     Biso  1.000000 Fe
   Fe26       1.0     0.333289      0.666469      0.491453     Biso  1.000000 Fe
   Fe27       1.0     0.834001      0.166816      0.491339     Biso  1.000000 Fe
   Fe28       1.0     0.833997      0.666765      0.491451     Biso  1.000000 Fe
   Fe29       1.0     0.334510      0.162833      0.382881     Biso  1.000000 Fe
   Fe30       1.0     0.335581      0.663846      0.382482     Biso  1.000000 Fe
   Fe31       1.0     0.837728      0.166228      0.383105     Biso  1.000000 Fe
   Fe32       1.0     0.843316      0.665294      0.385070     Biso  1.000000 Fe
   Fe33       1.0     0.171008      0.329841      0.333724     Biso  1.000000 Fe
   Fe34       1.0     0.171831      0.830563      0.333794     Biso  1.000000 Fe
   Fe35       1.0     0.671863      0.328450      0.334234     Biso  1.000000 Fe
   Fe36       1.0     0.670260      0.845366      0.333081     Biso  1.000000 Fe
   Fe37       1.0     0.167427      0.331718      0.431271     Biso  1.000000 Fe
   Fe38       1.0     0.170351      0.833863      0.431609     Biso  1.000000 Fe
   Fe39       1.0     0.668341      0.332481      0.431261     Biso  1.000000 Fe
   Fe40       1.0     0.667844      0.832364      0.431282     Biso  1.000000 Fe
   Fe41       1.0     0.157233      0.334061      0.615108     Biso  1.000000 Fe
   Fe42       1.0     0.163347      0.833667      0.617059     Biso  1.000000 Fe
   Fe43       1.0     0.665096      0.335571      0.617577     Biso  1.000000 Fe
   Fe44       1.0     0.666035      0.836838      0.617144     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     0.157767      0.000837      0.410052     Biso  1.000000 O
   O2         1.0     0.158621      0.501394      0.409914     Biso  1.000000 O
   O3         1.0     0.658214      0.002264      0.409879     Biso  1.000000 O
   O4         1.0     0.658839      0.502663      0.409418     Biso  1.000000 O
   O5         1.0     0.341717      0.496702      0.590670     Biso  1.000000 O
   O6         1.0     0.341966      0.997389      0.590158     Biso  1.000000 O
   O7         1.0     0.841766      0.498376      0.590144     Biso  1.000000 O
   O8         1.0     0.842441      0.998987      0.589963     Biso  1.000000 O
   O9         1.0     0.498082      0.152383      0.409997     Biso  1.000000 O
   O10        1.0     0.502515      0.652660      0.408489     Biso  1.000000 O
   O11        1.0     0.997786      0.150430      0.410034     Biso  1.000000 O
   O12        1.0     0.001341      0.651877      0.410546     Biso  1.000000 O
   O13        1.0     0.999280      0.347635      0.589480     Biso  1.000000 O
   O14        1.0     0.003028      0.849704      0.590109     Biso  1.000000 O
   O15        1.0     0.497802      0.346822      0.591523     Biso  1.000000 O
   O16        1.0     0.502084      0.847097      0.590060     Biso  1.000000 O
   O17        1.0     0.348598      0.341284      0.410177     Biso  1.000000 O
   O18        1.0     0.350978      0.843140      0.409758     Biso  1.000000 O
   O19        1.0     0.849462      0.343635      0.409590     Biso  1.000000 O
   O20        1.0     0.846440      0.840675      0.409168     Biso  1.000000 O
   O21        1.0     0.154147      0.159265      0.590857     Biso  1.000000 O
   O22        1.0     0.151130      0.656127      0.590354     Biso  1.000000 O
   O23        1.0     0.649359      0.156762      0.590224     Biso  1.000000 O
   O24        1.0     0.651931      0.658360      0.589835     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     0.175793      0.160909      0.351539     Biso  1.000000 O
   O30        1.0     0.175349      0.661141      0.351418     Biso  1.000000 O
   O31        1.0     0.674451      0.158917      0.351718     Biso  1.000000 O
   O32        1.0     0.676593      0.660289      0.347632     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     0.339763      0.006859      0.351210     Biso  1.000000 O
   O38        1.0     0.339629      0.505815      0.350879     Biso  1.000000 O
   O39        1.0     0.840544      0.010513      0.350882     Biso  1.000000 O
   O40        1.0     0.838052      0.508602      0.350881     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     0.496853      0.326876      0.349896     Biso  1.000000 O
   O46        1.0     0.493267      0.828103      0.349866     Biso  1.000000 O
   O47        1.0     0.996045      0.326137      0.349852     Biso  1.000000 O
   O48        1.0     0.995305      0.823931      0.350337     Biso  1.000000 O
   O49        1.0     0.323864      0.338817      0.653002     Biso  1.000000 O
   O50        1.0     0.326121      0.840609      0.648533     Biso  1.000000 O
   O51        1.0     0.825180      0.338278      0.648696     Biso  1.000000 O
   O52        1.0     0.824622      0.838981      0.648369     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     0.162975      0.490930      0.649287     Biso  1.000000 O
   O58        1.0     0.160489      0.990288      0.649596     Biso  1.000000 O
   O59        1.0     0.660506      0.493247      0.649010     Biso  1.000000 O
   O60        1.0     0.660748      0.992920      0.649003     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     0.005851      0.175699      0.649577     Biso  1.000000 O
   O66        1.0     0.006252      0.673811      0.649774     Biso  1.000000 O
   O67        1.0     0.507035      0.171455      0.650182     Biso  1.000000 O
   O68        1.0     0.504255      0.672393      0.649936     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     0.303326      0.180820      0.715228     Biso  1.000000 O
   O74        1.0     0.304754      0.675260      0.714943     Biso  1.000000 O
   O75        1.0     0.806886      0.178211      0.715308     Biso  1.000000 O
   O76        1.0     0.804358      0.675839      0.713967     Biso  1.000000 O
   O77        1.0     0.211403      0.323712      0.285383     Biso  1.000000 O
   O78        1.0     0.210851      0.824641      0.285248     Biso  1.000000 O
   O79        1.0     0.707395      0.326510      0.285444     Biso  1.000000 O
   O80        1.0     0.711378      0.819671      0.286756     Biso  1.000000 O
   O81        1.0     0.138159      0.335946      0.810377     Biso  1.000000 O
   O82        1.0     0.380954      0.153544      0.190341     Biso  1.000000 O
   C1         1.0     0.306396      0.177343      0.752462     Biso  1.000000 C
   C2         1.0     0.306445      0.675850      0.751937     Biso  1.000000 C
   C3         1.0     0.807881      0.177413      0.752326     Biso  1.000000 C
   C4         1.0     0.806895      0.676792      0.751094     Biso  1.000000 C
   C5         1.0     0.312861      0.429789      0.762560     Biso  1.000000 C
   C6         1.0     0.307876      0.927484      0.760575     Biso  1.000000 C
   C7         1.0     0.807737      0.428332      0.760469     Biso  1.000000 C
   C8         1.0     0.807734      0.926314      0.760323     Biso  1.000000 C
   C9         1.0     0.053870      0.170858      0.762807     Biso  1.000000 C
   C10        1.0     0.055355      0.676029      0.760421     Biso  1.000000 C
   C11        1.0     0.556200      0.175777      0.760703     Biso  1.000000 C
   C12        1.0     0.557632      0.676110      0.760447     Biso  1.000000 C
   C13        1.0     0.053976      0.429825      0.762666     Biso  1.000000 C
   C14        1.0     0.055204      0.926227      0.760451     Biso  1.000000 C
   C15        1.0     0.557544      0.428373      0.760618     Biso  1.000000 C
   C16        1.0     0.556194      0.927418      0.760612     Biso  1.000000 C
   C17        1.0     0.392033      0.091657      0.760507     Biso  1.000000 C
   C18        1.0     0.393074      0.591433      0.760973     Biso  1.000000 C
   C19        1.0     0.892459      0.090906      0.761082     Biso  1.000000 C
   C20        1.0     0.891759      0.592109      0.760068     Biso  1.000000 C
   C21        1.0     0.135072      0.090690      0.761191     Biso  1.000000 C
   C22        1.0     0.135197      0.591243      0.760930     Biso  1.000000 C
   C23        1.0     0.636427      0.091562      0.760479     Biso  1.000000 C
   C24        1.0     0.637294      0.592081      0.760153     Biso  1.000000 C
   C25        1.0     0.140366      0.343293      0.771509     Biso  1.000000 C
   C26        1.0     0.139534      0.843272      0.760004     Biso  1.000000 C
   C27        1.0     0.640483      0.343998      0.760148     Biso  1.000000 C
   C28        1.0     0.640579      0.843417      0.759995     Biso  1.000000 C
   C29        1.0     0.123683      0.409944      0.240214     Biso  1.000000 C
   C30        1.0     0.122773      0.910299      0.239416     Biso  1.000000 C
   C31        1.0     0.623453      0.411104      0.239271     Biso  1.000000 C
   C32        1.0     0.624001      0.909642      0.240966     Biso  1.000000 C
   C33        1.0     0.375820      0.158014      0.229232     Biso  1.000000 C
   C34        1.0     0.376172      0.658319      0.240576     Biso  1.000000 C
   C35        1.0     0.875340      0.157479      0.240869     Biso  1.000000 C
   C36        1.0     0.875553      0.658305      0.240365     Biso  1.000000 C
   C37        1.0     0.380485      0.410861      0.239495     Biso  1.000000 C
   C38        1.0     0.380621      0.910450      0.239651     Biso  1.000000 C
   C39        1.0     0.879209      0.409847      0.240289     Biso  1.000000 C
   C40        1.0     0.878705      0.909715      0.240491     Biso  1.000000 C
   C41        1.0     0.203067      0.072016      0.237938     Biso  1.000000 C
   C42        1.0     0.207939      0.574191      0.239970     Biso  1.000000 C
   C43        1.0     0.707921      0.073175      0.240636     Biso  1.000000 C
   C44        1.0     0.708145      0.575448      0.239842     Biso  1.000000 C
   C45        1.0     0.209254      0.324359      0.248429     Biso  1.000000 C
   C46        1.0     0.209145      0.825794      0.248199     Biso  1.000000 C
   C47        1.0     0.707491      0.324590      0.248370     Biso  1.000000 C
   C48        1.0     0.708875      0.824518      0.249408     Biso  1.000000 C
   C49        1.0     0.461993      0.071756      0.238176     Biso  1.000000 C
   C50        1.0     0.460509      0.575460      0.239992     Biso  1.000000 C
   C51        1.0     0.958256      0.073124      0.240247     Biso  1.000000 C
   C52        1.0     0.959506      0.574074      0.239931     Biso  1.000000 C
   C53        1.0     0.461639      0.330712      0.237921     Biso  1.000000 C
   C54        1.0     0.460547      0.825765      0.240395     Biso  1.000000 C
   C55        1.0     0.959287      0.325708      0.240179     Biso  1.000000 C
   C56        1.0     0.958426      0.825677      0.240021     Biso  1.000000 C
   C57        1.0     0.393358      0.348603      0.761185     Biso  1.000000 C
   C58        1.0     0.392047      0.847253      0.760280     Biso  1.000000 C
   C59        1.0     0.892354      0.348629      0.761059     Biso  1.000000 C
   C60        1.0     0.891639      0.846606      0.759932     Biso  1.000000 C
   C61        1.0     0.122930      0.153253      0.239585     Biso  1.000000 C
   C62        1.0     0.123766      0.654399      0.240097     Biso  1.000000 C
   C63        1.0     0.623304      0.153164      0.239898     Biso  1.000000 C
   C64        1.0     0.624039      0.655133      0.240208     Biso  1.000000 C
   H1         1.0     0.195427      0.440738      0.818807     Biso  1.000000 H
   H2         1.0     0.332700      0.209727      0.181625     Biso  1.000000 H
   H3         1.0     0.293891      0.375591      0.673547     Biso  1.000000 H
   H4         1.0     0.707764      0.626548      0.326732     Biso  1.000000 H
