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/m]
_cell_length_a [9.5187]
_cell_length_b [5.5345]
_cell_length_c [6.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu8 Pt16]'
_cell_volume [352.4812]
_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  0.1658  0.5000  0.8338  1.0
  Cu  Cu1  4  0.2500  0.2500  0.5000  1.0
  Pt  Pt2  8  0.0867  0.2507  0.1713  1.0
  Pt  Pt3  4  0.1657  0.0000  0.8300  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt5  2  0.0000  0.5000  0.5000  1.0
]