data_[Ga8Cu8Au6]
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 [Cm]
_cell_length_a [25.9890]
_cell_length_b [4.3362]
_cell_length_c [3.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ga4Cu4Au3]
_chemical_formula_sum '[Ga8 Cu8 Au6]'
_cell_volume [344.4053]
_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  2  0.0905  0.0000  0.6342  1
  Ga  Ga1  2  0.2368  0.5000  0.2787  1
  Ga  Ga2  2  0.2665  0.0000  0.8122  1
  Ga  Ga3  2  0.4185  0.5000  0.4698  1
  Cu  Cu4  2  0.0312  0.5000  0.5779  1
  Cu  Cu5  2  0.1808  0.0000  0.2154  1
  Cu  Cu6  2  0.3236  0.5000  0.8773  1
  Cu  Cu7  2  0.4445  0.0000  0.9929  1
  Au  Au8  2  0.0059  0.0000  0.0542  1
  Au  Au9  2  0.1449  0.5000  0.6756  1
  Au  Au10  2  0.3571  0.0000  0.4119  1
]