data_[Cu6Pt6]
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 [P1]
_cell_length_a [4.6860]
_cell_length_b [5.4293]
_cell_length_c [7.1762]
_cell_angle_alpha [78.3949]
_cell_angle_beta [76.9261]
_cell_angle_gamma [72.4755]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuPt]
_chemical_formula_sum '[Cu6 Pt6]'
_cell_volume [167.8428]
_cell_formula_units_Z [6]
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  1  0.5045  0.9984  0.4990  1.0
  Cu  Cu1  1  0.5071  0.8315  0.1643  1.0
  Cu  Cu2  1  0.9945  0.5044  0.0030  1.0
  Cu  Cu3  1  0.9954  0.8332  0.6684  1.0
  Cu  Cu4  1  0.9992  0.6671  0.3280  1.0
  Cu  Cu5  1  0.9994  0.9957  0.0042  1.0
  Pt  Pt6  1  0.0039  0.3330  0.6675  1.0
  Pt  Pt7  1  0.0080  0.1495  0.3315  1.0
  Pt  Pt8  1  0.4864  0.6753  0.8357  1.0
  Pt  Pt9  1  0.4987  0.5146  0.4931  1.0
  Pt  Pt10  1  0.5012  0.1646  0.8368  1.0
  Pt  Pt11  1  0.5019  0.3327  0.1686  1.0
]