data_[Cu2Pt4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2795]
_cell_length_b [6.9946]
_cell_length_c [6.4546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cu(PtS2)2]
_chemical_formula_sum '[Cu2 Pt4 S8]'
_cell_volume [256.4899]
_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
[
  Cu  Cu0  2  0.3403  0.0000  0.6437  1.0
  Pt  Pt1  2  0.0000  0.2484  0.0000  1.0
  Pt  Pt2  1  0.0000  0.5000  0.5000  1.0
  Pt  Pt3  1  0.5000  0.5000  0.0000  1.0
  S  S4  4  0.2164  0.2685  0.7699  1.0
  S  S5  2  0.2525  0.0000  0.2454  1.0
  S  S6  2  0.2605  0.5000  0.2162  1.0
]