# generated using pymatgen
data_Pd3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55317311
_cell_length_b   4.55317269
_cell_length_c   6.41634161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.03255611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3S
_chemical_formula_sum   'Pd6 S2'
_cell_volume   126.48581669
_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
  Pd  Pd0  1  0.14978552  0.54200926  0.75000000  1.0
  Pd  Pd1  1  0.53907429  0.15242973  0.75000000  1.0
  Pd  Pd2  1  0.99865591  0.00134409  0.00000000  1.0
  Pd  Pd3  1  0.99865591  0.00134409  0.50000000  1.0
  Pd  Pd4  1  0.45799074  0.85021448  0.25000000  1.0
  Pd  Pd5  1  0.84757027  0.46092571  0.25000000  1.0
  S  S6  1  0.30693891  0.30967656  0.25000000  1.0
  S  S7  1  0.69032344  0.69306109  0.75000000  1.0