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 [P2_1/c]
_cell_length_a [6.6572]
_cell_length_b [5.5100]
_cell_length_c [4.7708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu4 Pt8]'
_cell_volume [174.9934]
_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  0.3357  0.6266  0.0827  1.0
  Pt  Pt1  4  0.0014  0.6249  0.7534  1.0
  Pt  Pt2  4  0.3412  0.1255  0.0899  1.0
]