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/c]
_cell_length_a [8.8307]
_cell_length_b [7.9616]
_cell_length_c [4.6048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2Pt]
_chemical_formula_sum '[Cu16 Pt8]'
_cell_volume [319.8364]
_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  0.2438  0.0833  0.9972  1.0
  Cu  Cu1  4  0.0000  0.0790  0.2500  1.0
  Cu  Cu2  4  0.0000  0.2446  0.7500  1.0
  Pt  Pt3  4  0.0000  0.4150  0.2500  1.0
  Pt  Pt4  4  0.2500  0.2500  0.5000  1.0
]