data_[Cu8Pt4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1970]
_cell_length_b [11.3204]
_cell_length_c [6.5091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2PtBr6]
_chemical_formula_sum '[Cu8 Pt4 Br24]'
_cell_volume [1116.5299]
_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
[
  Cu  Cu0  8  0.1258  0.4015  0.8121  1.0
  Pt  Pt1  4  0.0000  0.0850  0.7500  1.0
  Br  Br2  8  0.0917  0.2456  0.5942  1.0
  Br  Br3  8  0.0948  0.0746  0.0807  1.0
  Br  Br4  8  0.1517  0.4113  0.1729  1.0
]