# generated using pymatgen
data_BaU(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.48008100
_cell_length_b   11.48008100
_cell_length_c   9.78097900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaU(PS4)2
_chemical_formula_sum   'Ba4 U4 P8 S32'
_cell_volume   1289.05732514
_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
  Ba  Ba0  1  0.50000000  0.00000000  0.75000000  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.25000000  1.0
  Ba  Ba2  1  0.00000000  0.50000000  0.75000000  1.0
  Ba  Ba3  1  0.50000000  0.00000000  0.25000000  1.0
  U  U4  1  0.50000000  0.50000000  0.75000000  1.0
  U  U5  1  0.50000000  0.50000000  0.25000000  1.0
  U  U6  1  0.00000000  0.00000000  0.75000000  1.0
  U  U7  1  0.00000000  0.00000000  0.25000000  1.0
  P  P8  1  0.46330100  0.27024200  0.50000000  1.0
  P  P9  1  0.72975800  0.46330100  0.00000000  1.0
  P  P10  1  0.96330100  0.22975800  0.50000000  1.0
  P  P11  1  0.77024200  0.96330100  0.00000000  1.0
  P  P12  1  0.53669900  0.72975800  0.50000000  1.0
  P  P13  1  0.27024200  0.53669900  0.00000000  1.0
  P  P14  1  0.03669900  0.77024200  0.50000000  1.0
  P  P15  1  0.22975800  0.03669900  0.00000000  1.0
  S  S16  1  0.27865400  0.43337100  0.82696700  1.0
  S  S17  1  0.56662900  0.27865400  0.32696700  1.0
  S  S18  1  0.77865400  0.06662900  0.82696700  1.0
  S  S19  1  0.93337100  0.77865400  0.32696700  1.0
  S  S20  1  0.27865400  0.43337100  0.17303300  1.0
  S  S21  1  0.56662900  0.27865400  0.67303300  1.0
  S  S22  1  0.77865400  0.06662900  0.17303300  1.0
  S  S23  1  0.93337100  0.77865400  0.67303300  1.0
  S  S24  1  0.72134600  0.56662900  0.17303300  1.0
  S  S25  1  0.43337100  0.72134600  0.67303300  1.0
  S  S26  1  0.22134600  0.93337100  0.17303300  1.0
  S  S27  1  0.06662900  0.22134600  0.67303300  1.0
  S  S28  1  0.72134600  0.56662900  0.82696700  1.0
  S  S29  1  0.43337100  0.72134600  0.32696700  1.0
  S  S30  1  0.22134600  0.93337100  0.82696700  1.0
  S  S31  1  0.06662900  0.22134600  0.32696700  1.0
  S  S32  1  0.37001700  0.42464700  0.50000000  1.0
  S  S33  1  0.57535300  0.37001700  0.00000000  1.0
  S  S34  1  0.87001700  0.07535300  0.50000000  1.0
  S  S35  1  0.92464700  0.87001700  0.00000000  1.0
  S  S36  1  0.62998300  0.57535300  0.50000000  1.0
  S  S37  1  0.42464700  0.62998300  0.00000000  1.0
  S  S38  1  0.12998300  0.92464700  0.50000000  1.0
  S  S39  1  0.07535300  0.12998300  0.00000000  1.0
  S  S40  1  0.36504300  0.12507400  0.50000000  1.0
  S  S41  1  0.87492600  0.36504300  0.00000000  1.0
  S  S42  1  0.86504300  0.37492600  0.50000000  1.0
  S  S43  1  0.62507400  0.86504300  0.00000000  1.0
  S  S44  1  0.63495700  0.87492600  0.50000000  1.0
  S  S45  1  0.12507400  0.63495700  0.00000000  1.0
  S  S46  1  0.13495700  0.62507400  0.50000000  1.0
  S  S47  1  0.37492600  0.13495700  0.00000000  1.0