# generated using pymatgen
data_PdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48297086
_cell_length_b   5.56536307
_cell_length_c   7.88021863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdS2
_chemical_formula_sum   'Pd4 S8'
_cell_volume   240.46269291
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.50000000  1.0
  Pd  Pd1  1  -0.00000000  0.50000000  0.50000000  1.0
  Pd  Pd2  1  0.50000000  0.50000000  -0.00000000  1.0
  Pd  Pd3  1  -0.00000000  0.00000000  -0.00000000  1.0
  S  S4  1  0.60477143  0.11041335  0.07829600  1.0
  S  S5  1  0.10477143  0.38958665  0.92170400  1.0
  S  S6  1  0.39522857  0.61041335  0.42170400  1.0
  S  S7  1  0.89522857  0.88958665  0.57829600  1.0
  S  S8  1  0.10477143  0.11041335  0.42170400  1.0
  S  S9  1  0.60477143  0.38958665  0.57829600  1.0
  S  S10  1  0.89522857  0.61041335  0.07829600  1.0
  S  S11  1  0.39522857  0.88958665  0.92170400  1.0