data_[Cu4Pt4]
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 [4.6856]
_cell_length_b [4.7085]
_cell_length_c [5.3638]
_cell_angle_alpha [72.2399]
_cell_angle_beta [89.4955]
_cell_angle_gamma [80.4890]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuPt]
_chemical_formula_sum '[Cu4 Pt4]'
_cell_volume [111.0399]
_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  2  0.1225  0.7495  0.4373  1.0
  Cu  Cu1  2  0.3743  0.2455  0.3137  1.0
  Pt  Pt2  2  0.1222  0.7519  0.9292  1.0
  Pt  Pt3  2  0.3786  0.2565  0.7953  1.0
]