data_[Cu16Pt8]
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 [Cm]
_cell_length_a [9.3373]
_cell_length_b [5.3791]
_cell_length_c [7.9174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2Pt]
_chemical_formula_sum '[Cu16 Pt8]'
_cell_volume [323.0575]
_cell_formula_units_Z [8]
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  0.2455  0.2500  0.3261  1.0
  Cu  Cu1  4  0.2487  0.2435  0.0031  1.0
  Cu  Cu2  2  0.0020  0.0000  0.6699  1.0
  Cu  Cu3  2  0.0053  0.5000  0.0084  1.0
  Cu  Cu4  2  0.0057  0.0000  0.0045  1.0
  Cu  Cu5  2  0.4956  0.0000  0.3249  1.0
  Pt  Pt6  4  0.2554  0.2509  0.6726  1.0
  Pt  Pt7  2  0.0030  0.5000  0.6680  1.0
  Pt  Pt8  2  0.4893  0.5000  0.3207  1.0
]