# generated using pymatgen
data_Th2PS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97165000
_cell_length_b   6.97165000
_cell_length_c   26.38545200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2PS2
_chemical_formula_sum   'Th2 P1 S2'
_cell_volume   1282.43596868
_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  0.50000000  0.27520700  1.0
  Th  Th1  1  0.50000000  0.50000000  0.72479300  1.0
  P  P2  1  0.50000000  0.50000000  0.00000000  1.0
  S  S3  1  0.50000000  0.50000000  0.63667300  1.0
  S  S4  1  0.50000000  0.50000000  0.36332700  1.0