data_[Ga16Cu4Au4]
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/c]
_cell_length_a [9.0260]
_cell_length_b [11.1919]
_cell_length_c [5.2966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga4CuAu]
_chemical_formula_sum '[Ga16 Cu4 Au4]'
_cell_volume [434.9557]
_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  0.1528  0.1584  0.5667  1.0
  Ga  Ga1  8  0.1778  0.4104  0.8424  1.0
  Cu  Cu2  4  0.0000  0.0290  0.7500  1.0
  Au  Au3  4  0.0000  0.3615  0.2500  1.0
]