data_[Cu12Pt4]
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 [Cmmm]
_cell_length_a [5.2685]
_cell_length_b [10.6825]
_cell_length_c [3.6747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cu3Pt]
_chemical_formula_sum '[Cu12 Pt4]'
_cell_volume [206.8142]
_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  4  0.0000  0.1223  0.5000  1.0
  Cu  Cu1  4  0.2428  0.0000  0.0000  1.0
  Cu  Cu2  4  0.2500  0.2500  0.0000  1.0
  Pt  Pt3  4  0.0000  0.3715  0.5000  1.0
]