# generated using pymatgen
data_CoPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41559579
_cell_length_b   5.41559579
_cell_length_c   5.41559579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPS
_chemical_formula_sum   'Co4 P4 S4'
_cell_volume   158.83226381
_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
  Co  Co0  1  0.49787800  0.50212200  0.00212200  1
  Co  Co1  1  0.50212200  0.00212200  0.49787800  1
  Co  Co2  1  0.00212200  0.49787800  0.50212200  1
  Co  Co3  1  0.99787800  0.99787800  0.99787800  1
  P  P4  1  0.88473200  0.11526800  0.61526800  1
  P  P5  1  0.11526800  0.61526800  0.88473200  1
  P  P6  1  0.61526800  0.88473200  0.11526800  1
  P  P7  1  0.38473200  0.38473200  0.38473200  1
  S  S8  1  0.11554800  0.88445200  0.38445200  1
  S  S9  1  0.88445200  0.38445300  0.11554800  1
  S  S10  1  0.38445200  0.11554800  0.88445200  1
  S  S11  1  0.61554800  0.61554800  0.61554800  1
