# generated using pymatgen
data_Th3P2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12530312
_cell_length_b   7.12530217
_cell_length_c   7.12530164
_cell_angle_alpha   146.39955769
_cell_angle_beta   131.77722638
_cell_angle_gamma   60.05602110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3P2S
_chemical_formula_sum   'Th3 P2 S1'
_cell_volume   147.92232032
_cell_formula_units_Z   1
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
  Th  Th0  1  0.50000000  0.00000000  0.50000000  1.0
  Th  Th1  1  0.16912783  0.66912783  0.50000000  1.0
  Th  Th2  1  0.83087217  0.33087217  0.50000000  1.0
  P  P3  1  0.66642021  0.66642021  0.00000000  1.0
  P  P4  1  0.33357979  0.33357979  1.00000000  1.0
  S  S5  1  0.00000000  0.00000000  0.00000000  1.0