data_[Cu4Re4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9277]
_cell_length_b [2.7575]
_cell_length_c [6.5027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuRePt]
_chemical_formula_sum '[Cu4 Re4 Pt4]'
_cell_volume [172.0069]
_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
[
  Re  Re0  4  0.1425  0.5000  0.5260  1
  Cu  Cu1  4  0.1940  0.5000  0.1354  1
  Pt  Pt2  4  0.0293  0.0000  0.8010  1
]