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

# 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     0.501663     -0.000501     -0.000714     Biso  1.000000 Li
   Li2        1.0     0.253973      0.247679      0.496320     Biso  1.000000 Li
   Li3        1.0     0.250787     -0.000381      0.500600     Biso  1.000000 Li
   Li4        1.0     0.499096      0.249943     -0.000785     Biso  1.000000 Li
   Li5        1.0     0.001003     -0.001349      0.000003     Biso  1.000000 Li
   Li6        1.0     0.740762      0.255328      0.495462     Biso  1.000000 Li
   Li7        1.0     0.747805     -0.001974      0.499751     Biso  1.000000 Li
   Li8        1.0    -0.004471      0.246199      0.006055     Biso  1.000000 Li
   Li9        1.0     0.498955      0.500985     -0.000040     Biso  1.000000 Li
   Li10       1.0     0.254468      0.748999      0.501684     Biso  1.000000 Li
   Li11       1.0     0.258565      0.504079      0.495506     Biso  1.000000 Li
   Li12       1.0     0.501395      0.750704      0.000164     Biso  1.000000 Li
   Li13       1.0    -0.004975      0.504002      0.008751     Biso  1.000000 Li
   Li14       1.0     0.752875      0.740468      0.496840     Biso  1.000000 Li
   Li15       1.0     0.000281      0.749539      0.000537     Biso  1.000000 Li
   O1         1.0     0.369369      0.126175      0.093509     Biso  1.000000 O
   O2         1.0     0.361350      0.272549      0.832488     Biso  1.000000 O
   O3         1.0     0.360395      0.477545      0.833791     Biso  1.000000 O
   O4         1.0     0.128860      0.374441      0.895954     Biso  1.000000 O
   O5         1.0     0.351757      0.374284      0.042230     Biso  1.000000 O
   O6         1.0     0.122253      0.374435      0.406756     Biso  1.000000 O
   O7         1.0     0.139595      0.022656      0.163814     Biso  1.000000 O
   O8         1.0     0.106379      0.231549      0.664775     Biso  1.000000 O
   O9         1.0     0.384215      0.270036      0.336213     Biso  1.000000 O
   O10        1.0     0.391290      0.475188      0.334068     Biso  1.000000 O
   O11        1.0     0.142516      0.125308      0.953989     Biso  1.000000 O
   O12        1.0     0.107088      0.125182      0.456780     Biso  1.000000 O
   O13        1.0     0.394968      0.374324      0.544387     Biso  1.000000 O
   O14        1.0     0.378755      0.125390      0.595493     Biso  1.000000 O
   O15        1.0     0.109793      0.025914      0.668170     Biso  1.000000 O
   O16        1.0     0.137219      0.227218      0.163383     Biso  1.000000 O
   O17        1.0     0.870410      0.125895      0.095116     Biso  1.000000 O
   O18        1.0     0.859159      0.272699      0.835506     Biso  1.000000 O
   O19        1.0     0.859917      0.475402      0.834908     Biso  1.000000 O
   O20        1.0     0.628404      0.374700      0.906732     Biso  1.000000 O
   O21        1.0     0.856091      0.374734      0.046540     Biso  1.000000 O
   O22        1.0     0.618595      0.366012      0.400370     Biso  1.000000 O
   O23        1.0     0.640499      0.023217      0.164045     Biso  1.000000 O
   O24        1.0     0.609890      0.227327      0.664356     Biso  1.000000 O
   O25        1.0     0.889440      0.271319      0.342341     Biso  1.000000 O
   O26        1.0     0.895502      0.474893      0.330922     Biso  1.000000 O
   O27        1.0     0.643979      0.125431      0.954382     Biso  1.000000 O
   O28        1.0     0.605211      0.123914      0.455094     Biso  1.000000 O
   O29        1.0     0.902161      0.374356      0.549955     Biso  1.000000 O
   O30        1.0     0.878673      0.125367      0.595545     Biso  1.000000 O
   O31        1.0     0.608780      0.022443      0.665078     Biso  1.000000 O
   O32        1.0     0.639979      0.228706      0.163219     Biso  1.000000 O
   O33        1.0     0.370638      0.624841      0.094450     Biso  1.000000 O
   O34        1.0     0.361701      0.772877      0.837218     Biso  1.000000 O
   O35        1.0     0.360810      0.977543      0.835826     Biso  1.000000 O
   O36        1.0     0.130528      0.875047      0.905250     Biso  1.000000 O
   O37        1.0     0.357091      0.875955      0.045968     Biso  1.000000 O
   O38        1.0     0.121433      0.875623      0.406674     Biso  1.000000 O
   O39        1.0     0.139620      0.522694      0.163814     Biso  1.000000 O
   O40        1.0     0.116486      0.726427      0.666462     Biso  1.000000 O
   O41        1.0     0.390223      0.772910      0.335219     Biso  1.000000 O
   O42        1.0     0.389502      0.977798      0.335369     Biso  1.000000 O
   O43        1.0     0.143770      0.624577      0.954473     Biso  1.000000 O
   O44        1.0     0.107519      0.624690      0.456315     Biso  1.000000 O
   O45        1.0     0.393692      0.875782      0.544726     Biso  1.000000 O
   O46        1.0     0.378135      0.624105      0.594366     Biso  1.000000 O
   O47        1.0     0.105752      0.520315      0.665015     Biso  1.000000 O
   O48        1.0     0.139758      0.727211      0.164260     Biso  1.000000 O
   O49        1.0     0.870719      0.624442      0.095100     Biso  1.000000 O
   O50        1.0     0.860948      0.771387      0.837344     Biso  1.000000 O
   O51        1.0     0.860717      0.976527      0.835667     Biso  1.000000 O
   O52        1.0     0.630517      0.874852      0.906154     Biso  1.000000 O
   O53        1.0     0.857834      0.875258      0.045897     Biso  1.000000 O
   O54        1.0     0.620670      0.876203      0.404155     Biso  1.000000 O
   O55        1.0     0.639391      0.522942      0.163006     Biso  1.000000 O
   O56        1.0     0.608602      0.728845      0.661766     Biso  1.000000 O
   O57        1.0     0.891531      0.772622      0.337337     Biso  1.000000 O
   O58        1.0     0.890805      0.977533      0.336598     Biso  1.000000 O
   O59        1.0     0.644411      0.625250      0.953937     Biso  1.000000 O
   O60        1.0     0.601642      0.626846      0.453372     Biso  1.000000 O
   O61        1.0     0.895552      0.876209      0.547062     Biso  1.000000 O
   O62        1.0     0.881881      0.632801      0.599229     Biso  1.000000 O
   O63        1.0     0.605202      0.526065      0.672178     Biso  1.000000 O
   O64        1.0     0.641278      0.728252      0.163153     Biso  1.000000 O
   P1         1.0     0.206400      0.125087      0.092209     Biso  1.000000 P
   P2         1.0     0.457330      0.372104      0.405593     Biso  1.000000 P
   P3         1.0     0.041135      0.125838      0.593664     Biso  1.000000 P
   P4         1.0     0.292782      0.374705      0.902876     Biso  1.000000 P
   P5         1.0     0.707156      0.125910      0.092956     Biso  1.000000 P
   P6         1.0     0.959009      0.376000      0.406971     Biso  1.000000 P
   P7         1.0     0.542068      0.124843      0.593267     Biso  1.000000 P
   P8         1.0     0.790697      0.374254      0.909693     Biso  1.000000 P
   P9         1.0     0.207666      0.625098      0.092684     Biso  1.000000 P
   P10        1.0     0.457711      0.875323      0.406570     Biso  1.000000 P
   P11        1.0     0.042543      0.627398      0.593566     Biso  1.000000 P
   P12        1.0     0.293750      0.875319      0.907732     Biso  1.000000 P
   P13        1.0     0.707347      0.625253      0.092298     Biso  1.000000 P
   P14        1.0     0.958301      0.875315      0.408748     Biso  1.000000 P
   P15        1.0     0.542800      0.624319      0.591349     Biso  1.000000 P
   P16        1.0     0.793482      0.874203      0.907878     Biso  1.000000 P
   Fe1        1.0     0.265835      0.124887      0.782266     Biso  1.000000 Fe
   Fe2        1.0     0.008824      0.378106      0.709800     Biso  1.000000 Fe
   Fe3        1.0     0.484329      0.125017      0.281341     Biso  1.000000 Fe
   Fe4        1.0     0.233470      0.374755      0.217953     Biso  1.000000 Fe
   Fe5        1.0     0.763680      0.123009      0.780875     Biso  1.000000 Fe
   Fe6        1.0     0.517392      0.377069      0.715314     Biso  1.000000 Fe
   Fe7        1.0     0.984993      0.125019      0.282830     Biso  1.000000 Fe
   Fe8        1.0     0.734023      0.376896      0.223572     Biso  1.000000 Fe
   Fe9        1.0     0.268291      0.625660      0.781889     Biso  1.000000 Fe
   Fe10       1.0     0.015852      0.874383      0.719761     Biso  1.000000 Fe
   Fe11       1.0     0.486848      0.624247      0.282985     Biso  1.000000 Fe
   Fe12       1.0     0.235145      0.874778      0.218942     Biso  1.000000 Fe
   Fe13       1.0     0.762123      0.625052      0.777029     Biso  1.000000 Fe
   Fe14       1.0     0.515511      0.873666      0.717726     Biso  1.000000 Fe
   Fe15       1.0     0.984488      0.624478      0.283053     Biso  1.000000 Fe
   Fe16       1.0     0.735980      0.875238      0.219209     Biso  1.000000 Fe
