data_[Ga4Cu12Au2]
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 [Immm]
_cell_length_a [4.1001]
_cell_length_b [5.0375]
_cell_length_c [12.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ga2Cu6Au]
_chemical_formula_sum '[Ga4 Cu12 Au2]'
_cell_volume [251.4450]
_cell_formula_units_Z [2]
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  0.5000  0.1581  1
  Cu  Cu1  8  0.0000  0.2553  0.3938  1
  Cu  Cu2  4  0.0000  0.0000  0.2139  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]