# generated using pymatgen
data_LiCr2(PS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.99600914
_cell_length_b   11.46102427
_cell_length_c   9.93211888
_cell_angle_alpha   90.00000000
_cell_angle_beta   86.79240071
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2(PS4)3
_chemical_formula_sum   'Li4 Cr8 P12 S48'
_cell_volume   1931.66307082
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.05066707  0.41115372  0.23842740  1
  Li  Li1  1  0.44933293  0.91115372  0.26157260  1
  Li  Li2  1  0.55066707  0.08884628  0.73842740  1
  Li  Li3  1  0.94933293  0.58884628  0.76157260  1
  Cr  Cr4  1  0.10241839  0.77755439  0.10802709  1
  Cr  Cr5  1  0.21168473  0.26537728  0.57569170  1
  Cr  Cr6  1  0.28831527  0.76537728  0.92430830  1
  Cr  Cr7  1  0.39758161  0.27755439  0.39197291  1
  Cr  Cr8  1  0.60241839  0.72244561  0.60802709  1
  Cr  Cr9  1  0.71168473  0.23462272  0.07569170  1
  Cr  Cr10  1  0.78831527  0.73462272  0.42430830  1
  Cr  Cr11  1  0.89758161  0.22244561  0.89197291  1
  P  P12  1  0.05328614  0.24059039  0.72437054  1
  P  P13  1  0.12936243  0.68652871  0.80621388  1
  P  P14  1  0.25930924  0.86558002  0.22057136  1
  P  P15  1  0.24069076  0.36558002  0.27942864  1
  P  P16  1  0.37063757  0.18652871  0.69378612  1
  P  P17  1  0.44671386  0.74059039  0.77562946  1
  P  P18  1  0.55328614  0.25940961  0.22437054  1
  P  P19  1  0.62936243  0.81347129  0.30621388  1
  P  P20  1  0.75930924  0.63441998  0.72057136  1
  P  P21  1  0.74069076  0.13441998  0.77942864  1
  P  P22  1  0.87063757  0.31347129  0.19378612  1
  P  P23  1  0.94671386  0.75940961  0.27562946  1
  S  S24  1  0.04980425  0.66515333  0.29050578  1
  S  S25  1  0.02176975  0.12819182  0.87842061  1
  S  S26  1  0.06447763  0.61941417  0.96879649  1
  S  S27  1  0.09481680  0.15577185  0.55405769  1
  S  S28  1  0.07528022  0.68113300  0.63671285  1
  S  S29  1  0.14754735  0.93873754  0.21964591  1
  S  S30  1  0.14349996  0.35421359  0.75810511  1
  S  S31  1  0.17734364  0.43195210  0.44412085  1
  S  S32  1  0.15862212  0.85073445  0.88741821  1
  S  S33  1  0.18689213  0.37217851  0.10961267  1
  S  S34  1  0.23196412  0.69849448  0.14428272  1
  S  S35  1  0.23916750  0.60811103  0.81238886  1
  S  S36  1  0.26083250  0.10811103  0.68761114  1
  S  S37  1  0.26803588  0.19849448  0.35571728  1
  S  S38  1  0.31310787  0.87217851  0.39038733  1
  S  S39  1  0.32265636  0.93195210  0.05587915  1
  S  S40  1  0.34137788  0.35073445  0.61258179  1
  S  S41  1  0.35245265  0.43873754  0.28035409  1
  S  S42  1  0.35650004  0.85421359  0.74189489  1
  S  S43  1  0.42471978  0.18113300  0.86328715  1
  S  S44  1  0.40518320  0.65577185  0.94594231  1
  S  S45  1  0.43552237  0.11941417  0.53120351  1
  S  S46  1  0.45019575  0.16515333  0.20949422  1
  S  S47  1  0.47823025  0.62819182  0.62157939  1
  S  S48  1  0.52176975  0.37180818  0.37842061  1
  S  S49  1  0.54980425  0.83484667  0.79050578  1
  S  S50  1  0.56447763  0.88058583  0.46879649  1
  S  S51  1  0.59481680  0.34422815  0.05405769  1
  S  S52  1  0.57528022  0.81886700  0.13671285  1
  S  S53  1  0.64349996  0.14578641  0.25810511  1
  S  S54  1  0.64754735  0.56126246  0.71964591  1
  S  S55  1  0.65862212  0.64926555  0.38741821  1
  S  S56  1  0.67734364  0.06804790  0.94412085  1
  S  S57  1  0.68689213  0.12782149  0.60961267  1
  S  S58  1  0.73196412  0.80150552  0.64428272  1
  S  S59  1  0.73916750  0.89188897  0.31238886  1
  S  S60  1  0.76083250  0.39188897  0.18761114  1
  S  S61  1  0.76803588  0.30150552  0.85571728  1
  S  S62  1  0.81310787  0.62782149  0.89038733  1
  S  S63  1  0.84137788  0.14926555  0.11258179  1
  S  S64  1  0.82265636  0.56804790  0.55587915  1
  S  S65  1  0.85650004  0.64578641  0.24189489  1
  S  S66  1  0.85245265  0.06126246  0.78035409  1
  S  S67  1  0.92471978  0.31886700  0.36328715  1
  S  S68  1  0.90518320  0.84422815  0.44594231  1
  S  S69  1  0.93552237  0.38058483  0.03120351  1
  S  S70  1  0.97823025  0.87180818  0.12157939  1
  S  S71  1  0.95019575  0.33484667  0.70949422  1
