data_[Cu8Pt8Se8O8]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.3695]
_cell_length_b [12.4557]
_cell_length_c [6.4946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CuPtSeO]
_chemical_formula_sum '[Cu8 Pt8 Se8 O8]'
_cell_volume [515.2606]
_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
[
  Cu  Cu0  8  0.1094  0.7493  0.7399  1
  Pt  Pt1  8  0.2474  0.5984  0.4694  1
  Se  Se2  8  0.0118  0.0081  0.7555  1
  O  O3  8  0.1358  0.2383  0.6089  1
]