# generated using pymatgen
data_CsLiU(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.24006715
_cell_length_b   13.24006715
_cell_length_c   13.24006738
_cell_angle_alpha   72.46178374
_cell_angle_beta   72.46178374
_cell_angle_gamma   72.46178663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLiU(PS4)2
_chemical_formula_sum   'Cs6 Li6 U6 P12 S48'
_cell_volume   2052.85942920
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.25000000  0.25000000  0.25000000  1
  Cs  Cs1  1  0.75000000  0.75000000  0.75000000  1
  Cs  Cs2  1  0.42256281  0.42256281  0.42256281  1
  Cs  Cs3  1  0.92256281  0.92256281  0.92256281  1
  Cs  Cs4  1  0.57743719  0.57743719  0.57743719  1
  Cs  Cs5  1  0.07743719  0.07743719  0.07743719  1
  Li  Li6  1  0.88893714  0.61106286  0.25000000  1
  Li  Li7  1  0.61106286  0.25000000  0.88893714  1
  Li  Li8  1  0.25000000  0.88893714  0.61106286  1
  Li  Li9  1  0.38893714  0.75000000  0.11106286  1
  Li  Li10  1  0.75000000  0.11106286  0.38893714  1
  Li  Li11  1  0.11106286  0.38893714  0.75000000  1
  U  U12  1  0.58658434  0.91341566  0.25000000  1
  U  U13  1  0.91341566  0.25000000  0.58658434  1
  U  U14  1  0.25000000  0.58658434  0.91341566  1
  U  U15  1  0.08658434  0.75000000  0.41341566  1
  U  U16  1  0.75000000  0.41341566  0.08658434  1
  U  U17  1  0.41341566  0.08658434  0.75000000  1
  P  P18  1  0.18926310  0.17288827  0.62509332  1
  P  P19  1  0.17288827  0.62509332  0.18926310  1
  P  P20  1  0.62509332  0.18926310  0.17288827  1
  P  P21  1  0.68926310  0.12509332  0.67288827  1
  P  P22  1  0.12509332  0.67288827  0.68926310  1
  P  P23  1  0.67288827  0.68926310  0.12509332  1
  P  P24  1  0.81073690  0.82711173  0.37490668  1
  P  P25  1  0.82711173  0.37490668  0.81073690  1
  P  P26  1  0.37490668  0.81073690  0.82711173  1
  P  P27  1  0.31073690  0.87490668  0.32711173  1
  P  P28  1  0.87490668  0.32711173  0.31073690  1
  P  P29  1  0.32711173  0.31073690  0.87490668  1
  S  S30  1  0.35011895  0.16355509  0.54587665  1
  S  S31  1  0.16355509  0.54587665  0.35011895  1
  S  S32  1  0.54587665  0.35011895  0.16355509  1
  S  S33  1  0.85011895  0.04587665  0.66355509  1
  S  S34  1  0.04587665  0.66355509  0.85011895  1
  S  S35  1  0.66355509  0.85011895  0.04587665  1
  S  S36  1  0.64988105  0.83644491  0.45412335  1
  S  S37  1  0.83644491  0.45412335  0.64988105  1
  S  S38  1  0.45412335  0.64988105  0.83644491  1
  S  S39  1  0.14988105  0.95412335  0.33644491  1
  S  S40  1  0.95412335  0.33644491  0.14988105  1
  S  S41  1  0.33644491  0.14988105  0.95412335  1
  S  S42  1  0.37269344  0.30996149  0.71183792  1
  S  S43  1  0.30996149  0.71183792  0.37269344  1
  S  S44  1  0.71183792  0.37269344  0.30996149  1
  S  S45  1  0.87269344  0.21183792  0.80996149  1
  S  S46  1  0.21183792  0.80996149  0.87269344  1
  S  S47  1  0.80996149  0.87269344  0.21183792  1
  S  S48  1  0.62730656  0.69003851  0.28816208  1
  S  S49  1  0.69003851  0.28816208  0.62730656  1
  S  S50  1  0.28816208  0.62730656  0.69003851  1
  S  S51  1  0.12730656  0.78816208  0.19003851  1
  S  S52  1  0.78816208  0.19003851  0.12730656  1
  S  S53  1  0.19003851  0.12730656  0.78816208  1
  S  S54  1  0.09429053  0.32645772  0.58839735  1
  S  S55  1  0.32645772  0.58839735  0.09429053  1
  S  S56  1  0.58839735  0.09429053  0.32645772  1
  S  S57  1  0.59429053  0.08839735  0.82645772  1
  S  S58  1  0.08839735  0.82645772  0.59429053  1
  S  S59  1  0.82645772  0.59429053  0.08839735  1
  S  S60  1  0.90570947  0.67354228  0.41160265  1
  S  S61  1  0.67354228  0.41160265  0.90570947  1
  S  S62  1  0.41160265  0.90570947  0.67354228  1
  S  S63  1  0.40570947  0.91160265  0.17354228  1
  S  S64  1  0.91160265  0.17354228  0.40570947  1
  S  S65  1  0.17354228  0.40570947  0.91160265  1
  S  S66  1  0.61437724  0.08560145  0.57957294  1
  S  S67  1  0.08560145  0.57957294  0.61437724  1
  S  S68  1  0.57957294  0.61437724  0.08560145  1
  S  S69  1  0.11437724  0.07957294  0.58560145  1
  S  S70  1  0.07957294  0.58560145  0.11437724  1
  S  S71  1  0.58560145  0.11437724  0.07957294  1
  S  S72  1  0.38562276  0.91439855  0.42042706  1
  S  S73  1  0.91439855  0.42042706  0.38562276  1
  S  S74  1  0.42042706  0.38562276  0.91439855  1
  S  S75  1  0.88562276  0.92042706  0.41439855  1
  S  S76  1  0.92042706  0.41439855  0.88562276  1
  S  S77  1  0.41439855  0.88562276  0.92042706  1
