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

# 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     0.503491     -0.000625      0.000078     Biso  1.000000 Li
   Li2        1.0     0.254253      0.010977      0.499370     Biso  1.000000 Li
   Li3        1.0     0.496869      0.245461     -0.000200     Biso  1.000000 Li
   Li4        1.0     0.003491     -0.000625      0.000078     Biso  1.000000 Li
   Li5        1.0     0.754252      0.010977      0.499370     Biso  1.000000 Li
   Li6        1.0    -0.003128      0.245462     -0.000201     Biso  1.000000 Li
   Li7        1.0     0.497020      0.504364     -0.000224     Biso  1.000000 Li
   Li8        1.0     0.254183      0.739149      0.499432     Biso  1.000000 Li
   Li9        1.0     0.503671      0.750614      0.000072     Biso  1.000000 Li
   Li10       1.0    -0.002980      0.504364     -0.000224     Biso  1.000000 Li
   Li11       1.0     0.754183      0.739149      0.499433     Biso  1.000000 Li
   Li12       1.0     0.003671      0.750615      0.000072     Biso  1.000000 Li
   O1         1.0     0.372184      0.128657      0.095903     Biso  1.000000 O
   O2         1.0     0.363212      0.274274      0.835026     Biso  1.000000 O
   O3         1.0     0.363264      0.475514      0.834852     Biso  1.000000 O
   O4         1.0     0.127480      0.374995      0.894686     Biso  1.000000 O
   O5         1.0     0.345185      0.375013      0.047039     Biso  1.000000 O
   O6         1.0     0.116490      0.375067      0.376786     Biso  1.000000 O
   O7         1.0     0.141802      0.028198      0.168171     Biso  1.000000 O
   O8         1.0     0.100076      0.229924      0.674025     Biso  1.000000 O
   O9         1.0     0.382997      0.275748      0.324875     Biso  1.000000 O
   O10        1.0     0.382919      0.474268      0.324852     Biso  1.000000 O
   O11        1.0     0.145139      0.127199      0.956133     Biso  1.000000 O
   O12        1.0     0.097420      0.126446      0.456419     Biso  1.000000 O
   O13        1.0     0.418057      0.375095      0.542652     Biso  1.000000 O
   O14        1.0     0.378123      0.120606      0.602664     Biso  1.000000 O
   O15        1.0     0.113174      0.025184      0.666412     Biso  1.000000 O
   O16        1.0     0.142394      0.234742      0.161223     Biso  1.000000 O
   O17        1.0     0.872184      0.128657      0.095903     Biso  1.000000 O
   O18        1.0     0.863213      0.274273      0.835026     Biso  1.000000 O
   O19        1.0     0.863264      0.475514      0.834852     Biso  1.000000 O
   O20        1.0     0.627480      0.374995      0.894686     Biso  1.000000 O
   O21        1.0     0.845185      0.375012      0.047039     Biso  1.000000 O
   O22        1.0     0.616491      0.375067      0.376786     Biso  1.000000 O
   O23        1.0     0.641803      0.028198      0.168171     Biso  1.000000 O
   O24        1.0     0.600076      0.229924      0.674025     Biso  1.000000 O
   O25        1.0     0.882997      0.275748      0.324875     Biso  1.000000 O
   O26        1.0     0.882918      0.474269      0.324852     Biso  1.000000 O
   O27        1.0     0.645139      0.127199      0.956133     Biso  1.000000 O
   O28        1.0     0.597420      0.126447      0.456420     Biso  1.000000 O
   O29        1.0     0.918057      0.375095      0.542652     Biso  1.000000 O
   O30        1.0     0.878123      0.120606      0.602664     Biso  1.000000 O
   O31        1.0     0.613174      0.025184      0.666413     Biso  1.000000 O
   O32        1.0     0.642394      0.234742      0.161223     Biso  1.000000 O
   O33        1.0     0.372206      0.621305      0.095987     Biso  1.000000 O
   O34        1.0     0.363783      0.772407      0.839938     Biso  1.000000 O
   O35        1.0     0.363725      0.977493      0.839995     Biso  1.000000 O
   O36        1.0     0.132547      0.874940      0.907632     Biso  1.000000 O
   O37        1.0     0.357866      0.874932      0.049475     Biso  1.000000 O
   O38        1.0     0.120255      0.874994      0.402337     Biso  1.000000 O
   O39        1.0     0.142336      0.515229      0.161188     Biso  1.000000 O
   O40        1.0     0.113213      0.724930      0.666403     Biso  1.000000 O
   O41        1.0     0.388908      0.772743      0.335755     Biso  1.000000 O
   O42        1.0     0.388880      0.977192      0.335621     Biso  1.000000 O
   O43        1.0     0.145232      0.622738      0.956098     Biso  1.000000 O
   O44        1.0     0.097438      0.623656      0.456434     Biso  1.000000 O
   O45        1.0     0.396448      0.875077      0.546329     Biso  1.000000 O
   O46        1.0     0.378152      0.629446      0.602659     Biso  1.000000 O
   O47        1.0     0.100127      0.520207      0.674068     Biso  1.000000 O
   O48        1.0     0.141822      0.721810      0.168123     Biso  1.000000 O
   O49        1.0     0.872206      0.621305      0.095987     Biso  1.000000 O
   O50        1.0     0.863783      0.772407      0.839938     Biso  1.000000 O
   O51        1.0     0.863725      0.977493      0.839995     Biso  1.000000 O
   O52        1.0     0.632547      0.874940      0.907632     Biso  1.000000 O
   O53        1.0     0.857866      0.874932      0.049475     Biso  1.000000 O
   O54        1.0     0.620255      0.874994      0.402337     Biso  1.000000 O
   O55        1.0     0.642336      0.515229      0.161188     Biso  1.000000 O
   O56        1.0     0.613212      0.724931      0.666403     Biso  1.000000 O
   O57        1.0     0.888908      0.772743      0.335755     Biso  1.000000 O
   O58        1.0     0.888879      0.977192      0.335621     Biso  1.000000 O
   O59        1.0     0.645232      0.622738      0.956098     Biso  1.000000 O
   O60        1.0     0.597438      0.623656      0.456433     Biso  1.000000 O
   O61        1.0     0.896448      0.875077      0.546329     Biso  1.000000 O
   O62        1.0     0.878153      0.629445      0.602659     Biso  1.000000 O
   O63        1.0     0.600126      0.520208      0.674068     Biso  1.000000 O
   O64        1.0     0.641822      0.721810      0.168122     Biso  1.000000 O
   P1         1.0     0.209109      0.128465      0.094003     Biso  1.000000 P
   P2         1.0     0.455904      0.375037      0.398594     Biso  1.000000 P
   P3         1.0     0.039941      0.126442      0.594886     Biso  1.000000 P
   P4         1.0     0.290356      0.374940      0.905085     Biso  1.000000 P
   P5         1.0     0.709109      0.128465      0.094003     Biso  1.000000 P
   P6         1.0     0.955903      0.375037      0.398594     Biso  1.000000 P
   P7         1.0     0.539941      0.126442      0.594886     Biso  1.000000 P
   P8         1.0     0.790355      0.374940      0.905086     Biso  1.000000 P
   P9         1.0     0.209132      0.621508      0.093999     Biso  1.000000 P
   P10        1.0     0.457424      0.875004      0.407751     Biso  1.000000 P
   P11        1.0     0.039973      0.623665      0.594891     Biso  1.000000 P
   P12        1.0     0.295894      0.874930      0.910305     Biso  1.000000 P
   P13        1.0     0.709133      0.621508      0.093999     Biso  1.000000 P
   P14        1.0     0.957424      0.875004      0.407752     Biso  1.000000 P
   P15        1.0     0.539973      0.623665      0.594891     Biso  1.000000 P
   P16        1.0     0.795894      0.874930      0.910305     Biso  1.000000 P
   Fe1        1.0     0.265635      0.123426      0.778956     Biso  1.000000 Fe
   Fe2        1.0     0.012406      0.375063      0.707773     Biso  1.000000 Fe
   Fe3        1.0     0.482806      0.125080      0.285512     Biso  1.000000 Fe
   Fe4        1.0     0.237750      0.375007      0.226138     Biso  1.000000 Fe
   Fe5        1.0     0.765635      0.123426      0.778956     Biso  1.000000 Fe
   Fe6        1.0     0.512406      0.375063      0.707774     Biso  1.000000 Fe
   Fe7        1.0     0.982805      0.125080      0.285512     Biso  1.000000 Fe
   Fe8        1.0     0.737750      0.375007      0.226138     Biso  1.000000 Fe
   Fe9        1.0     0.265690      0.626506      0.778903     Biso  1.000000 Fe
   Fe10       1.0     0.018222      0.875036      0.717974     Biso  1.000000 Fe
   Fe11       1.0     0.482821      0.624924      0.285510     Biso  1.000000 Fe
   Fe12       1.0     0.234585      0.874985      0.221434     Biso  1.000000 Fe
   Fe13       1.0     0.765690      0.626506      0.778903     Biso  1.000000 Fe
   Fe14       1.0     0.518222      0.875036      0.717974     Biso  1.000000 Fe
   Fe15       1.0     0.982821      0.624924      0.285510     Biso  1.000000 Fe
   Fe16       1.0     0.734585      0.874985      0.221434     Biso  1.000000 Fe
