# generated using pymatgen
data_U(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96916867
_cell_length_b   6.96916867
_cell_length_c   9.75447972
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(PS3)2
_chemical_formula_sum   'U2 P4 S12'
_cell_volume   473.76836797
_cell_formula_units_Z   2
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
  U  U0  1  0.00000000  0.00000000  0.75000000  1.0
  U  U1  1  0.00000000  0.00000000  0.25000000  1.0
  P  P2  1  0.05896681  0.34795107  0.50000000  1.0
  P  P3  1  0.94103319  0.65204893  0.50000000  1.0
  P  P4  1  0.34795107  0.94103319  -0.00000000  1.0
  P  P5  1  0.65204893  0.05896681  -0.00000000  1.0
  S  S6  1  0.20978429  0.31846403  0.67382102  1.0
  S  S7  1  0.68153597  0.20978429  0.17382102  1.0
  S  S8  1  0.17286112  0.17492731  -0.00000000  1.0
  S  S9  1  0.82507269  0.17286112  0.50000000  1.0
  S  S10  1  0.17492731  0.82713888  0.50000000  1.0
  S  S11  1  0.82713888  0.82507269  -0.00000000  1.0
  S  S12  1  0.20978429  0.31846403  0.32617898  1.0
  S  S13  1  0.68153597  0.20978429  0.82617898  1.0
  S  S14  1  0.31846403  0.79021571  0.82617898  1.0
  S  S15  1  0.79021571  0.68153597  0.32617898  1.0
  S  S16  1  0.79021571  0.68153597  0.67382102  1.0
  S  S17  1  0.31846403  0.79021571  0.17382102  1.0