data_[Cu16Pt8]
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 [C2]
_cell_length_a [7.6868]
_cell_length_b [7.6194]
_cell_length_c [5.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cu2Pt]
_chemical_formula_sum '[Cu16 Pt8]'
_cell_volume [319.1012]
_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  4  0.0821  0.2519  0.3327  1.0
  Cu  Cu1  4  0.1657  0.4990  0.6707  1.0
  Cu  Cu2  4  0.2413  0.2505  0.9982  1.0
  Cu  Cu3  2  0.0000  0.0093  0.0000  1.0
  Cu  Cu4  2  0.0000  0.4915  0.0000  1.0
  Pt  Pt5  4  0.0818  0.7484  0.3204  1.0
  Pt  Pt6  4  0.1700  0.9999  0.6777  1.0
]