# generated using pymatgen
data_Li3Cr2(PS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.73783600
_cell_length_b   9.70839800
_cell_length_c   17.50965480
_cell_angle_alpha   85.55444796
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr2(PS4)3
_chemical_formula_sum   'Li12 Cr8 P12 S48'
_cell_volume   1819.84061616
_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  0.41968800  0.76206300  0.95979100  1
  Li  Li1  1  0.91025600  0.48666400  0.85102300  1
  Li  Li2  1  0.12649400  0.00612200  0.77519100  1
  Li  Li3  1  0.62649400  0.49387800  0.72480900  1
  Li  Li4  1  0.41025600  0.01333600  0.64897700  1
  Li  Li5  1  0.91968800  0.73793700  0.54020900  1
  Li  Li6  1  0.08031200  0.26206300  0.45979100  1
  Li  Li7  1  0.58974400  0.98666400  0.35102300  1
  Li  Li8  1  0.37350600  0.50612200  0.27519100  1
  Li  Li9  1  0.87350600  0.99387800  0.22480900  1
  Li  Li10  1  0.08974400  0.51333600  0.14897700  1
  Li  Li11  1  0.58031200  0.23793700  0.04020900  1
  Cr  Cr12  1  0.77697900  0.89784800  0.90147700  1
  Cr  Cr13  1  0.26673400  0.42541800  0.78633200  1
  Cr  Cr14  1  0.76673400  0.07458200  0.71366800  1
  Cr  Cr15  1  0.27697900  0.60215200  0.59852300  1
  Cr  Cr16  1  0.72302100  0.39784800  0.40147700  1
  Cr  Cr17  1  0.23326600  0.92541800  0.28633200  1
  Cr  Cr18  1  0.73326600  0.57458200  0.21366800  1
  Cr  Cr19  1  0.22302100  0.10215200  0.09852300  1
  P  P20  1  0.23653100  0.27025800  0.94388900  1
  P  P21  1  0.69701900  0.20688000  0.86802600  1
  P  P22  1  0.85840000  0.77118900  0.75048200  1
  P  P23  1  0.35840000  0.72881100  0.74951800  1
  P  P24  1  0.19701900  0.29312000  0.63197400  1
  P  P25  1  0.73653100  0.22974200  0.55611100  1
  P  P26  1  0.26346900  0.77025800  0.44388900  1
  P  P27  1  0.80298100  0.70688000  0.36802600  1
  P  P28  1  0.64160000  0.27118900  0.25048200  1
  P  P29  1  0.14160000  0.22881100  0.24951800  1
  P  P30  1  0.30298100  0.79312000  0.13197400  1
  P  P31  1  0.76346900  0.72974200  0.05611100  1
  S  S32  1  0.66347800  0.70454800  0.95718300  1
  S  S33  1  0.11936800  0.11210000  0.97733900  1
  S  S34  1  0.61637000  0.05487700  0.93899100  1
  S  S35  1  0.14657400  0.44825700  0.90097900  1
  S  S36  1  0.71664400  0.38147100  0.91894000  1
  S  S37  1  0.94628200  0.75945400  0.85514600  1
  S  S38  1  0.35800100  0.23545400  0.85794400  1
  S  S39  1  0.43775000  0.57634000  0.82226500  1
  S  S40  1  0.86425700  0.10952600  0.83779000  1
  S  S41  1  0.34730000  0.91399800  0.79409700  1
  S  S42  1  0.68567600  0.85928300  0.77631100  1
  S  S43  1  0.61208700  0.22704800  0.76176600  1
  S  S44  1  0.11208700  0.27295200  0.73823400  1
  S  S45  1  0.18567600  0.64071700  0.72368900  1
  S  S46  1  0.84730000  0.58600200  0.70590300  1
  S  S47  1  0.93775000  0.92366000  0.67773500  1
  S  S48  1  0.36425700  0.39047400  0.66221000  1
  S  S49  1  0.44628200  0.74054600  0.64485400  1
  S  S50  1  0.85800100  0.26454600  0.64205600  1
  S  S51  1  0.21664400  0.11852900  0.58106000  1
  S  S52  1  0.64657400  0.05174300  0.59902100  1
  S  S53  1  0.11637000  0.44512300  0.56100900  1
  S  S54  1  0.16347800  0.79545200  0.54281700  1
  S  S55  1  0.61936800  0.38790000  0.52266100  1
  S  S56  1  0.38063200  0.61210000  0.47733900  1
  S  S57  1  0.83652200  0.20454800  0.45718300  1
  S  S58  1  0.88363000  0.55487700  0.43899100  1
  S  S59  1  0.35342600  0.94825700  0.40097900  1
  S  S60  1  0.78335600  0.88147100  0.41894000  1
  S  S61  1  0.14199900  0.73545400  0.35794400  1
  S  S62  1  0.55371800  0.25945400  0.35514600  1
  S  S63  1  0.63574300  0.60952600  0.33779000  1
  S  S64  1  0.06225000  0.07634000  0.32226500  1
  S  S65  1  0.15270000  0.41399800  0.29409700  1
  S  S66  1  0.81432400  0.35928300  0.27631100  1
  S  S67  1  0.88791300  0.72704800  0.26176600  1
  S  S68  1  0.38791300  0.77295200  0.23823400  1
  S  S69  1  0.31432400  0.14071700  0.22368900  1
  S  S70  1  0.65270000  0.08600200  0.20590300  1
  S  S71  1  0.13574300  0.89047400  0.16221000  1
  S  S72  1  0.56225000  0.42366000  0.17773500  1
  S  S73  1  0.64199900  0.76454600  0.14205600  1
  S  S74  1  0.05371800  0.24054600  0.14485400  1
  S  S75  1  0.28335600  0.61852900  0.08106000  1
  S  S76  1  0.85342600  0.55174300  0.09902100  1
  S  S77  1  0.38363000  0.94512300  0.06100900  1
  S  S78  1  0.88063200  0.88790000  0.02266100  1
  S  S79  1  0.33652200  0.29545200  0.04281700  1
