data_[Ga18Cu6Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.7231]
_cell_length_b [6.7231]
_cell_length_c [15.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ga3CuPt2]
_chemical_formula_sum '[Ga18 Cu6 Pt12]'
_cell_volume [618.4495]
_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
[
  Ga  Ga0  18  0.0000  0.3261  0.7500  1
  Cu  Cu1  6  0.0000  -0.0000  0.0000  1
  Pt  Pt2  12  0.0000  0.0000  0.1609  1
]