data_[Cu4Pt8]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7886]
_cell_length_b [6.1500]
_cell_length_c [6.7443]
_cell_angle_alpha [111.7024]
_cell_angle_beta [90.3103]
_cell_angle_gamma [105.1067]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu4 Pt8]'
_cell_volume [177.0109]
_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  2  0.2901  0.1263  0.0407  1.0
  Cu  Cu1  2  0.4563  0.6218  0.2053  1.0
  Pt  Pt2  2  0.0377  0.8750  0.2839  1.0
  Pt  Pt3  2  0.1365  0.6254  0.8815  1.0
  Pt  Pt4  2  0.2091  0.3718  0.4529  1.0
  Pt  Pt5  2  0.3781  0.8780  0.6329  1.0
]