data_[Ga12Cu16Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1248]
_cell_length_b [13.5271]
_cell_length_c [4.8079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga3(Cu2Au)2]
_chemical_formula_sum '[Ga12 Cu16 Au8]'
_cell_volume [569.4155]
_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
[
  Ga  Ga0  8  0.1582  0.1304  0.6403  1
  Ga  Ga1  4  0.0000  0.3552  0.2500  1
  Cu  Cu2  8  0.1053  0.0554  0.1240  1
  Cu  Cu3  8  0.1427  0.4926  0.0078  1
  Au  Au4  8  0.1660  0.3144  0.7670  1
]