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

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  'CONTCAR (2)                           '
_cell_length_a                         9.39567
_cell_length_b                         12.02973
_cell_length_c                         10.36104
_cell_angle_alpha                      90.00204
_cell_angle_beta                       90.00008
_cell_angle_gamma                      89.99919
_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
   Li1        1.0     0.502631     -0.001803      0.003055     Biso  1.000000 Li
   Li2        1.0     0.243253      0.255339      0.494569     Biso  1.000000 Li
   Li3        1.0     0.246128     -0.003435      0.494335     Biso  1.000000 Li
   Li4        1.0     0.514330      0.256321      0.002767     Biso  1.000000 Li
   Li5        1.0     0.994888     -0.002202      0.003387     Biso  1.000000 Li
   Li6        1.0     0.759218      0.245987      0.507522     Biso  1.000000 Li
   Li7        1.0     0.749768     -0.000311      0.501168     Biso  1.000000 Li
   Li8        1.0    -0.000873      0.258311     -0.007536     Biso  1.000000 Li
   Li9        1.0     0.508887      0.497005     -0.002176     Biso  1.000000 Li
   Li10       1.0     0.246490      0.750352      0.498990     Biso  1.000000 Li
   Li11       1.0     0.239289      0.492875      0.507651     Biso  1.000000 Li
   Li12       1.0     0.497600      0.748510     -0.000862     Biso  1.000000 Li
   Li13       1.0     0.004146      0.496238     -0.021896     Biso  1.000000 Li
   Li14       1.0     0.748437      0.754674      0.502685     Biso  1.000000 Li
   Li15       1.0     0.995595      0.747965      0.001602     Biso  1.000000 Li
   O1         1.0     0.372212      0.122368      0.095403     Biso  1.000000 O
   O2         1.0     0.357503      0.268841      0.842925     Biso  1.000000 O
   O3         1.0     0.361365      0.473667      0.838299     Biso  1.000000 O
   O4         1.0     0.134715      0.374563      0.928331     Biso  1.000000 O
   O5         1.0     0.371671      0.374600      0.049870     Biso  1.000000 O
   O6         1.0     0.123089      0.372095      0.400167     Biso  1.000000 O
   O7         1.0     0.139241      0.021242      0.161172     Biso  1.000000 O
   O8         1.0     0.116535      0.215791      0.671704     Biso  1.000000 O
   O9         1.0     0.395100      0.274151      0.335578     Biso  1.000000 O
   O10        1.0     0.391287      0.479472      0.336346     Biso  1.000000 O
   O11        1.0     0.146638      0.124269      0.953467     Biso  1.000000 O
   O12        1.0     0.106195      0.127355      0.452607     Biso  1.000000 O
   O13        1.0     0.394283      0.375974      0.545597     Biso  1.000000 O
   O14        1.0     0.380873      0.125402      0.596571     Biso  1.000000 O
   O15        1.0     0.108496      0.014426      0.655635     Biso  1.000000 O
   O16        1.0     0.143816      0.226255      0.164193     Biso  1.000000 O
   O17        1.0     0.871022      0.122136      0.092145     Biso  1.000000 O
   O18        1.0     0.856442      0.268886      0.840812     Biso  1.000000 O
   O19        1.0     0.853560      0.480752      0.836362     Biso  1.000000 O
   O20        1.0     0.629231      0.374267      0.903808     Biso  1.000000 O
   O21        1.0     0.856912      0.377531      0.042873     Biso  1.000000 O
   O22        1.0     0.622199      0.379615      0.405928     Biso  1.000000 O
   O23        1.0     0.640107      0.022375      0.165783     Biso  1.000000 O
   O24        1.0     0.609752      0.229934      0.663039     Biso  1.000000 O
   O25        1.0     0.892262      0.271567      0.326723     Biso  1.000000 O
   O26        1.0     0.893060      0.476182      0.332590     Biso  1.000000 O
   O27        1.0     0.641466      0.122563      0.955362     Biso  1.000000 O
   O28        1.0     0.607262      0.125201      0.455397     Biso  1.000000 O
   O29        1.0     0.895095      0.370283      0.538943     Biso  1.000000 O
   O30        1.0     0.880201      0.123583      0.592499     Biso  1.000000 O
   O31        1.0     0.611555      0.024401      0.666004     Biso  1.000000 O
   O32        1.0     0.643027      0.226908      0.163782     Biso  1.000000 O
   O33        1.0     0.370541      0.627247      0.092917     Biso  1.000000 O
   O34        1.0     0.356358      0.774649      0.833468     Biso  1.000000 O
   O35        1.0     0.355470      0.980676      0.835450     Biso  1.000000 O
   O36        1.0     0.127177      0.876218      0.908316     Biso  1.000000 O
   O37        1.0     0.357352      0.875791      0.043806     Biso  1.000000 O
   O38        1.0     0.118952      0.874942      0.404954     Biso  1.000000 O
   O39        1.0     0.143673      0.524321      0.166793     Biso  1.000000 O
   O40        1.0     0.104392      0.731689      0.658283     Biso  1.000000 O
   O41        1.0     0.390228      0.772919      0.337004     Biso  1.000000 O
   O42        1.0     0.390097      0.977973      0.336109     Biso  1.000000 O
   O43        1.0     0.142137      0.626130      0.955325     Biso  1.000000 O
   O44        1.0     0.104350      0.624049      0.451955     Biso  1.000000 O
   O45        1.0     0.392176      0.876341      0.546042     Biso  1.000000 O
   O46        1.0     0.377719      0.630318      0.593873     Biso  1.000000 O
   O47        1.0     0.117011      0.526617      0.664394     Biso  1.000000 O
   O48        1.0     0.139823      0.728852      0.163334     Biso  1.000000 O
   O49        1.0     0.869591      0.628331      0.094638     Biso  1.000000 O
   O50        1.0     0.856288      0.771798      0.836647     Biso  1.000000 O
   O51        1.0     0.858135      0.976714      0.835840     Biso  1.000000 O
   O52        1.0     0.626724      0.875441      0.905717     Biso  1.000000 O
   O53        1.0     0.853725      0.874644      0.045433     Biso  1.000000 O
   O54        1.0     0.619810      0.875356      0.407979     Biso  1.000000 O
   O55        1.0     0.641973      0.522516      0.165362     Biso  1.000000 O
   O56        1.0     0.610473      0.729581      0.665479     Biso  1.000000 O
   O57        1.0     0.889276      0.771278      0.335777     Biso  1.000000 O
   O58        1.0     0.889412      0.976549      0.334753     Biso  1.000000 O
   O59        1.0     0.641063      0.626570      0.956285     Biso  1.000000 O
   O60        1.0     0.606101      0.626400      0.455990     Biso  1.000000 O
   O61        1.0     0.889350      0.874699      0.543649     Biso  1.000000 O
   O62        1.0     0.879603      0.621978      0.594131     Biso  1.000000 O
   O63        1.0     0.605328      0.524458      0.664068     Biso  1.000000 O
   O64        1.0     0.637401      0.726973      0.166436     Biso  1.000000 O
   P1         1.0     0.209959      0.124100      0.094684     Biso  1.000000 P
   P2         1.0     0.457488      0.377429      0.407663     Biso  1.000000 P
   P3         1.0     0.042865      0.121569      0.590795     Biso  1.000000 P
   P4         1.0     0.293646      0.375660      0.917028     Biso  1.000000 P
   P5         1.0     0.708080      0.123633      0.091970     Biso  1.000000 P
   P6         1.0     0.960346      0.370887      0.402793     Biso  1.000000 P
   P7         1.0     0.544370      0.126250      0.593600     Biso  1.000000 P
   P8         1.0     0.794769      0.375255      0.902458     Biso  1.000000 P
   P9         1.0     0.207357      0.625927      0.092764     Biso  1.000000 P
   P10        1.0     0.456762      0.875585      0.408408     Biso  1.000000 P
   P11        1.0     0.045905      0.623174      0.592580     Biso  1.000000 P
   P12        1.0     0.289872      0.876021      0.907085     Biso  1.000000 P
   P13        1.0     0.706997      0.625686      0.093546     Biso  1.000000 P
   P14        1.0     0.955844      0.874017      0.406600     Biso  1.000000 P
   P15        1.0     0.539073      0.629399      0.594913     Biso  1.000000 P
   P16        1.0     0.789968      0.874767      0.907226     Biso  1.000000 P
   Fe1        1.0     0.254932      0.134776      0.786400     Biso  1.000000 Fe
   Fe2        1.0     0.755132      0.498543      0.504185     Biso  1.000000 Fe
   Fe3        1.0     0.487503      0.125474      0.281922     Biso  1.000000 Fe
   Fe4        1.0     0.238172      0.376315      0.214700     Biso  1.000000 Fe
   Fe5        1.0     0.767788      0.128078      0.783847     Biso  1.000000 Fe
   Fe6        1.0     0.512623      0.374268      0.722242     Biso  1.000000 Fe
   Fe7        1.0     0.983099      0.123088      0.279354     Biso  1.000000 Fe
   Fe8        1.0     0.740350      0.374505      0.211783     Biso  1.000000 Fe
   Fe9        1.0     0.258684      0.622203      0.781639     Biso  1.000000 Fe
   Fe10       1.0     0.010852      0.872952      0.717961     Biso  1.000000 Fe
   Fe11       1.0     0.482985      0.625867      0.278717     Biso  1.000000 Fe
   Fe12       1.0     0.235528      0.874182      0.217051     Biso  1.000000 Fe
   Fe13       1.0     0.765139      0.623358      0.785378     Biso  1.000000 Fe
   Fe14       1.0     0.512782      0.878027      0.719164     Biso  1.000000 Fe
   Fe15       1.0     0.986740      0.625363      0.279164     Biso  1.000000 Fe
   Fe16       1.0     0.732916      0.874079      0.218234     Biso  1.000000 Fe
