data_[Ga8Cu12Au12]
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 [Cmcm]
_cell_length_a [4.1878]
_cell_length_b [9.2615]
_cell_length_c [13.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga2(CuAu)3]
_chemical_formula_sum '[Ga8 Cu12 Au12]'
_cell_volume [505.4419]
_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  0.0000  0.2278  0.1162  1.0
  Cu  Cu1  8  0.0000  0.3898  0.5559  1.0
  Cu  Cu2  4  0.0000  0.4310  0.2500  1.0
  Au  Au3  8  0.0000  0.0697  0.5979  1.0
  Au  Au4  4  0.0000  0.2907  0.7500  1.0
]