data_[Cu8Pt4]
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 [4.6098]
_cell_length_b [5.4278]
_cell_length_c [6.9844]
_cell_angle_alpha [78.8559]
_cell_angle_beta [76.1128]
_cell_angle_gamma [73.1284]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu2Pt]
_chemical_formula_sum '[Cu8 Pt4]'
_cell_volume [160.9041]
_cell_formula_units_Z [4]
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  0.0013  0.6677  0.3261  1.0
  Cu  Cu1  1  0.4970  0.6660  0.8409  1.0
  Cu  Cu2  1  0.5010  0.3433  0.1683  1.0
  Cu  Cu3  1  0.5033  0.5015  0.4962  1.0
  Cu  Cu4  1  0.5046  0.8232  0.1725  1.0
  Cu  Cu5  1  0.5060  0.9984  0.4956  1.0
  Cu  Cu6  1  0.9923  0.5087  0.0014  1.0
  Cu  Cu7  1  0.9946  0.9904  0.0030  1.0
  Pt  Pt8  1  0.0038  0.1699  0.3171  1.0
  Pt  Pt9  1  0.0103  0.8291  0.6658  1.0
  Pt  Pt10  1  0.4884  0.1637  0.8499  1.0
  Pt  Pt11  1  0.9974  0.3381  0.6632  1.0
]