data_[Cu5Pt6]
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 [P-1]
_cell_length_a [4.6890]
_cell_length_b [6.0726]
_cell_length_c [6.1017]
_cell_angle_alpha [107.6795]
_cell_angle_beta [97.5714]
_cell_angle_gamma [104.7520]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu5Pt6]
_chemical_formula_sum '[Cu5 Pt6]'
_cell_volume [155.9038]
_cell_formula_units_Z [1]
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  2  0.2286  0.4100  0.0442  1.0
  Cu  Cu1  2  0.4097  0.1411  0.6830  1.0
  Cu  Cu2  1  0.5000  0.5000  0.5000  1.0
  Pt  Pt3  2  0.0511  0.6794  0.4057  1.0
  Pt  Pt4  2  0.1396  0.0478  0.2343  1.0
  Pt  Pt5  2  0.3235  0.7671  0.8719  1.0
]