data_[Cu8Pt16]
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 [9.0920]
_cell_length_b [8.2379]
_cell_length_c [4.7638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuPt2]
_chemical_formula_sum '[Cu8 Pt16]'
_cell_volume [351.5313]
_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  0.2519  0.3383  0.7529  1.0
  Cu  Cu1  2  0.2518  0.5000  0.2454  1.0
  Cu  Cu2  2  0.4944  0.5000  0.9991  1.0
  Pt  Pt3  4  0.0017  0.3305  0.9963  1.0
  Pt  Pt4  4  0.2489  0.1719  0.2509  1.0
  Pt  Pt5  4  0.4962  0.3370  0.5010  1.0
  Pt  Pt6  2  0.0101  0.5000  0.4994  1.0
  Pt  Pt7  2  0.2463  0.0000  0.7537  1.0
]