data_[Ga4Cu2Au16]
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/m]
_cell_length_a [12.3522]
_cell_length_b [7.2317]
_cell_length_c [4.7393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2CuAu8]
_chemical_formula_sum '[Ga4 Cu2 Au16]'
_cell_volume [410.5990]
_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  0.1270  0.0000  0.5281  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  8  0.0720  0.2980  0.7876  1.0
  Au  Au3  4  0.1459  0.5000  0.3267  1.0
  Au  Au4  4  0.2211  0.0000  0.0986  1.0
]