data_[Cu4Pt8]
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 [Pm]
_cell_length_a [6.1590]
_cell_length_b [3.8776]
_cell_length_c [7.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu4 Pt8]'
_cell_volume [175.2741]
_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  1  0.3333  0.5000  0.5882  1.0
  Cu  Cu1  1  0.6689  0.5000  0.9129  1.0
  Cu  Cu2  1  0.9978  0.0000  0.9944  1.0
  Cu  Cu3  1  0.9983  0.5000  0.7543  1.0
  Pt  Pt4  1  0.0049  0.0000  0.5084  1.0
  Pt  Pt5  1  0.3266  0.5000  0.0745  1.0
  Pt  Pt6  1  0.3302  0.0000  0.3327  1.0
  Pt  Pt7  1  0.3312  0.0000  0.8305  1.0
  Pt  Pt8  1  0.6659  0.5000  0.4233  1.0
  Pt  Pt9  1  0.6719  0.0000  0.1589  1.0
  Pt  Pt10  1  0.6724  0.0000  0.6793  1.0
  Pt  Pt11  1  0.9985  0.5000  0.2426  1.0
]