data_[Cu8Pt16]
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 [4.7609]
_cell_length_b [8.2416]
_cell_length_c [9.1201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu8 Pt16]'
_cell_volume [351.9830]
_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  0.1241  0.4161  0.6247  1.0
  Pt  Pt1  8  0.1265  0.2521  0.1254  1.0
  Pt  Pt2  8  0.1298  0.0804  0.6248  1.0
]