# generated using pymatgen
data_PdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40494396
_cell_length_b   8.40494396
_cell_length_c   8.40494396
_cell_angle_alpha   157.00499918
_cell_angle_beta   157.00499918
_cell_angle_gamma   32.74588283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdS3
_chemical_formula_sum   'Pd1 S3'
_cell_volume   90.53362018
_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
  Pd  Pd0  1  0.00000000  0.00000000  0.00000000  1.0
  S  S1  1  0.75000000  0.25000000  0.50000000  1.0
  S  S2  1  0.25000000  0.75000000  0.50000000  1.0
  S  S3  1  0.50000000  0.50000000  0.00000000  1.0