data_[Cu3B5Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.0888]
_cell_length_b [9.0888]
_cell_length_c [2.9969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cu3B5Pt9]
_chemical_formula_sum '[Cu3 B5 Pt9]'
_cell_volume [214.3939]
_cell_formula_units_Z [1]
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  3  0.0000  0.5408  0.0000  1.0
  B  B1  3  0.0000  0.1886  0.5000  1.0
  B  B2  2  0.3333  0.6667  0.0000  1.0
  Pt  Pt3  6  0.1956  0.4616  0.5000  1.0
  Pt  Pt4  3  0.0000  0.8230  0.0000  1.0
]