# generated using pymatgen
data_PdS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47221786
_cell_length_b   6.47221786
_cell_length_c   6.63553180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdS
_chemical_formula_sum   'Pd8 S8'
_cell_volume   277.95979962
_cell_formula_units_Z   8
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  0.53090766  0.74255767  0.00000000  1.0
  Pd  Pd1  1  0.25744233  0.53090766  0.50000000  1.0
  Pd  Pd2  1  0.74255767  0.46909234  0.50000000  1.0
  Pd  Pd3  1  0.46909234  0.25744233  0.00000000  1.0
  Pd  Pd4  1  0.00000000  0.00000000  0.75000000  1.0
  Pd  Pd5  1  0.00000000  0.00000000  0.25000000  1.0
  Pd  Pd6  1  0.50000000  0.00000000  0.50000000  1.0
  Pd  Pd7  1  0.00000000  0.50000000  0.00000000  1.0
  S  S8  1  0.19352726  0.30752983  0.77156310  1.0
  S  S9  1  0.69247017  0.19352726  0.27156310  1.0
  S  S10  1  0.30752983  0.80647274  0.27156310  1.0
  S  S11  1  0.80647274  0.69247017  0.77156310  1.0
  S  S12  1  0.80647274  0.69247017  0.22843690  1.0
  S  S13  1  0.30752983  0.80647274  0.72843690  1.0
  S  S14  1  0.69247017  0.19352726  0.72843690  1.0
  S  S15  1  0.19352726  0.30752983  0.22843690  1.0