# generated using pymatgen
data_ThSiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03442146
_cell_length_b   9.03442146
_cell_length_c   9.03442146
_cell_angle_alpha   154.98839937
_cell_angle_beta   154.98839937
_cell_angle_gamma   35.66455168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiS
_chemical_formula_sum   'Th2 Si2 S2'
_cell_volume   131.65835339
_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
  Th  Th0  1  0.86301877  0.86301877  -0.00000000  1.0
  Th  Th1  1  0.13698123  0.13698123  0.00000000  1.0
  Si  Si2  1  0.00000000  0.50000000  0.50000000  1.0
  Si  Si3  1  0.50000000  -0.00000000  0.50000000  1.0
  S  S4  1  0.68814470  0.68814470  -0.00000000  1.0
  S  S5  1  0.31185530  0.31185530  0.00000000  1.0