# generated using pymatgen
data_CdPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64059727
_cell_length_b   7.64059680
_cell_length_c   7.64059750
_cell_angle_alpha   48.31174799
_cell_angle_beta   48.31174226
_cell_angle_gamma   48.31173570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPS3
_chemical_formula_sum   'Cd2 P2 S6'
_cell_volume   228.04409683
_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
  Cd  Cd0  1  0.66585687  0.66585687  0.66585687  1.0
  Cd  Cd1  1  0.33435057  0.33435057  0.33435057  1.0
  P  P2  1  0.94469683  0.94469683  0.94469683  1.0
  P  P3  1  0.05551787  0.05551787  0.05551787  1.0
  S  S4  1  0.91767974  0.22694775  0.60495798  1.0
  S  S5  1  0.60495798  0.91767974  0.22694775  1.0
  S  S6  1  0.77326275  0.39525242  0.08252222  1.0
  S  S7  1  0.08252222  0.77326275  0.39525242  1.0
  S  S8  1  0.39525242  0.08252222  0.77326275  1.0
  S  S9  1  0.22694775  0.60495798  0.91767974  1.0