data_[Zn12Ga4Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.2331]
_cell_length_b [13.4217]
_cell_length_c [6.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zn3GaAu6]
_chemical_formula_sum '[Zn12 Ga4 Au24]'
_cell_volume [734.5852]
_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
[
  Zn  Zn0  8  0.2273  0.0935  0.9966  1.0
  Zn  Zn1  4  0.0000  0.4420  0.2273  1.0
  Ga  Ga2  4  0.0000  0.1616  0.4834  1.0
  Au  Au3  8  0.1758  0.2712  0.2242  1.0
  Au  Au4  8  0.1805  0.4130  0.8811  1.0
  Au  Au5  4  0.0000  0.0013  0.7453  1.0
  Au  Au6  4  0.0000  0.2223  0.8550  1.0
]