data_[Ga4Cu12Au24]
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 [Cmc2_1]
_cell_length_a [7.6678]
_cell_length_b [16.0693]
_cell_length_c [5.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ga(CuAu2)3]
_chemical_formula_sum '[Ga4 Cu12 Au24]'
_cell_volume [663.8715]
_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  4  0.0000  0.2392  0.2526  1.0
  Cu  Cu1  8  0.1849  0.1233  0.0961  1.0
  Cu  Cu2  4  0.0000  0.3940  0.3281  1.0
  Au  Au3  8  0.1863  0.4721  0.9670  1.0
  Au  Au4  8  0.2019  0.1902  0.6340  1.0
  Au  Au5  4  0.0000  0.0390  0.7566  1.0
  Au  Au6  4  0.0000  0.3293  0.7831  1.0
]