data_[Cu12Pt6]
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 [I4mm]
_cell_length_a [2.7639]
_cell_length_b [2.7639]
_cell_length_c [31.1610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cu2Pt]
_chemical_formula_sum '[Cu12 Pt6]'
_cell_volume [238.0428]
_cell_formula_units_Z [6]
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  2  0.0000  0.0000  0.1102  1.0
  Cu  Cu1  2  0.0000  0.0000  0.2261  1.0
  Cu  Cu2  2  0.0000  0.0000  0.4435  1.0
  Cu  Cu3  2  0.0000  0.0000  0.7775  1.0
  Cu  Cu4  2  0.0000  0.0000  0.8927  1.0
  Cu  Cu5  2  0.0000  0.0000  0.9944  1.0
  Pt  Pt6  2  0.0000  0.0000  0.3350  1.0
  Pt  Pt7  2  0.0000  0.0000  0.5519  1.0
  Pt  Pt8  2  0.0000  0.0000  0.6687  1.0
]