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

# 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     0.498628     -0.000736      0.003674     Biso  1.000000 Li
   Li2        1.0     0.252009      0.003916      0.499813     Biso  1.000000 Li
   Li3        1.0     0.505336      0.254285     -0.005395     Biso  1.000000 Li
   Li4        1.0     0.000334     -0.001346      0.002352     Biso  1.000000 Li
   Li5        1.0     0.743274      0.003771      0.490035     Biso  1.000000 Li
   Li6        1.0     0.006436      0.257834      0.007150     Biso  1.000000 Li
   Li7        1.0     0.507102      0.498141     -0.019705     Biso  1.000000 Li
   Li8        1.0     0.253579      0.740078      0.496607     Biso  1.000000 Li
   Li9        1.0     0.497988      0.749785     -0.000545     Biso  1.000000 Li
   Li10       1.0     0.004619      0.499416     -0.003542     Biso  1.000000 Li
   Li11       1.0     0.750473      0.756915      0.502531     Biso  1.000000 Li
   Li12       1.0    -0.001545      0.748988     -0.001631     Biso  1.000000 Li
   O1         1.0     0.373447      0.122933      0.093982     Biso  1.000000 O
   O2         1.0     0.351599      0.263716      0.849160     Biso  1.000000 O
   O3         1.0     0.355988      0.477683      0.845165     Biso  1.000000 O
   O4         1.0     0.127430      0.373994      0.906775     Biso  1.000000 O
   O5         1.0     0.351064      0.373542      0.051355     Biso  1.000000 O
   O6         1.0     0.117963      0.377551      0.373527     Biso  1.000000 O
   O7         1.0     0.139706      0.026556      0.164151     Biso  1.000000 O
   O8         1.0     0.108589      0.220516      0.681706     Biso  1.000000 O
   O9         1.0     0.395943      0.282079      0.319899     Biso  1.000000 O
   O10        1.0     0.384362      0.478294      0.326954     Biso  1.000000 O
   O11        1.0     0.147454      0.123780      0.951733     Biso  1.000000 O
   O12        1.0     0.096727      0.123112      0.459036     Biso  1.000000 O
   O13        1.0     0.400069      0.372926      0.548249     Biso  1.000000 O
   O14        1.0     0.375871      0.117712      0.618313     Biso  1.000000 O
   O15        1.0     0.119462      0.021396      0.669506     Biso  1.000000 O
   O16        1.0     0.147231      0.232346      0.159371     Biso  1.000000 O
   O17        1.0     0.872625      0.124354      0.096031     Biso  1.000000 O
   O18        1.0     0.859541      0.274051      0.841140     Biso  1.000000 O
   O19        1.0     0.857476      0.477578      0.837752     Biso  1.000000 O
   O20        1.0     0.632077      0.374792      0.926217     Biso  1.000000 O
   O21        1.0     0.866808      0.377781      0.049615     Biso  1.000000 O
   O22        1.0     0.617349      0.389750      0.399773     Biso  1.000000 O
   O23        1.0     0.640223      0.021285      0.162835     Biso  1.000000 O
   O24        1.0     0.610620      0.213831      0.682488     Biso  1.000000 O
   O25        1.0     0.888145      0.274853      0.321822     Biso  1.000000 O
   O26        1.0     0.878144      0.480833      0.340309     Biso  1.000000 O
   O27        1.0     0.648058      0.123351      0.953876     Biso  1.000000 O
   O28        1.0     0.584091      0.125531      0.457349     Biso  1.000000 O
   O29        1.0     0.907325      0.376613      0.538192     Biso  1.000000 O
   O30        1.0     0.882321      0.119275      0.609926     Biso  1.000000 O
   O31        1.0     0.611541      0.013049      0.656607     Biso  1.000000 O
   O32        1.0     0.639833      0.225099      0.163620     Biso  1.000000 O
   O33        1.0     0.371410      0.626954      0.091206     Biso  1.000000 O
   O34        1.0     0.356977      0.777888      0.830626     Biso  1.000000 O
   O35        1.0     0.354256      0.984905      0.839611     Biso  1.000000 O
   O36        1.0     0.126846      0.876317      0.905764     Biso  1.000000 O
   O37        1.0     0.354451      0.874981      0.044072     Biso  1.000000 O
   O38        1.0     0.121314      0.876252      0.402254     Biso  1.000000 O
   O39        1.0     0.144940      0.518854      0.160172     Biso  1.000000 O
   O40        1.0     0.103271      0.724223      0.662855     Biso  1.000000 O
   O41        1.0     0.391057      0.770945      0.335342     Biso  1.000000 O
   O42        1.0     0.389159      0.976316      0.332408     Biso  1.000000 O
   O43        1.0     0.142283      0.627284      0.953700     Biso  1.000000 O
   O44        1.0     0.101713      0.625114      0.451795     Biso  1.000000 O
   O45        1.0     0.391923      0.875400      0.543592     Biso  1.000000 O
   O46        1.0     0.385377      0.632035      0.601809     Biso  1.000000 O
   O47        1.0     0.104784      0.521864      0.670319     Biso  1.000000 O
   O48        1.0     0.140695      0.725062      0.165794     Biso  1.000000 O
   O49        1.0     0.871056      0.626262      0.095811     Biso  1.000000 O
   O50        1.0     0.859003      0.774005      0.833161     Biso  1.000000 O
   O51        1.0     0.860725      0.979232      0.836012     Biso  1.000000 O
   O52        1.0     0.628708      0.876041      0.904686     Biso  1.000000 O
   O53        1.0     0.856531      0.874381      0.043557     Biso  1.000000 O
   O54        1.0     0.619568      0.874716      0.404660     Biso  1.000000 O
   O55        1.0     0.640833      0.523403      0.164242     Biso  1.000000 O
   O56        1.0     0.618482      0.729165      0.662963     Biso  1.000000 O
   O57        1.0     0.890298      0.773255      0.335704     Biso  1.000000 O
   O58        1.0     0.889586      0.978322      0.335520     Biso  1.000000 O
   O59        1.0     0.645658      0.626557      0.954048     Biso  1.000000 O
   O60        1.0     0.609189      0.622474      0.453901     Biso  1.000000 O
   O61        1.0     0.896194      0.875644      0.545063     Biso  1.000000 O
   O62        1.0     0.876425      0.614956      0.589611     Biso  1.000000 O
   O63        1.0     0.622221      0.523231      0.657706     Biso  1.000000 O
   O64        1.0     0.638602      0.727336      0.163979     Biso  1.000000 O
   P1         1.0     0.211032      0.126401      0.091549     Biso  1.000000 P
   P2         1.0     0.448308      0.379481      0.413352     Biso  1.000000 P
   P3         1.0     0.045115      0.122807      0.598463     Biso  1.000000 P
   P4         1.0     0.291796      0.373999      0.908182     Biso  1.000000 P
   P5         1.0     0.709636      0.123609      0.094315     Biso  1.000000 P
   P6         1.0     0.959278      0.372580      0.393709     Biso  1.000000 P
   P7         1.0     0.538179      0.121540      0.598626     Biso  1.000000 P
   P8         1.0     0.791452      0.378243      0.915574     Biso  1.000000 P
   P9         1.0     0.208717      0.624763      0.090444     Biso  1.000000 P
   P10        1.0     0.456212      0.874711      0.406055     Biso  1.000000 P
   P11        1.0     0.044075      0.619525      0.589700     Biso  1.000000 P
   P12        1.0     0.289759      0.877952      0.906275     Biso  1.000000 P
   P13        1.0     0.707757      0.625414      0.093031     Biso  1.000000 P
   P14        1.0     0.958499      0.875970      0.406506     Biso  1.000000 P
   P15        1.0     0.545265      0.627250      0.595756     Biso  1.000000 P
   P16        1.0     0.791869      0.876314      0.905568     Biso  1.000000 P
   Fe1        1.0     0.261437      0.130795      0.780147     Biso  1.000000 Fe
   Fe2        1.0     0.022388      0.374931      0.721032     Biso  1.000000 Fe
   Fe3        1.0     0.481251      0.127932      0.281782     Biso  1.000000 Fe
   Fe4        1.0     0.250309      0.377525      0.221620     Biso  1.000000 Fe
   Fe5        1.0     0.760038      0.139458      0.776597     Biso  1.000000 Fe
   Fe6        1.0     0.741656      0.485210      0.506324     Biso  1.000000 Fe
   Fe7        1.0     0.985233      0.125956      0.282843     Biso  1.000000 Fe
   Fe8        1.0     0.730168      0.373794      0.214884     Biso  1.000000 Fe
   Fe9        1.0     0.264460      0.620102      0.778318     Biso  1.000000 Fe
   Fe10       1.0     0.015175      0.873295      0.718304     Biso  1.000000 Fe
   Fe11       1.0     0.481927      0.623747      0.276377     Biso  1.000000 Fe
   Fe12       1.0     0.234621      0.875037      0.218546     Biso  1.000000 Fe
   Fe13       1.0     0.766448      0.625403      0.783152     Biso  1.000000 Fe
   Fe14       1.0     0.512296      0.873915      0.717775     Biso  1.000000 Fe
   Fe15       1.0     0.987580      0.626940      0.280345     Biso  1.000000 Fe
   Fe16       1.0     0.734862      0.873883      0.216728     Biso  1.000000 Fe
