data_[Zn24Ga4Au12]
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 [10.0180]
_cell_length_b [13.7040]
_cell_length_c [5.2180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zn6GaAu3]
_chemical_formula_sum '[Zn24 Ga4 Au12]'
_cell_volume [716.3608]
_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  0.2048  0.4998  0.1204  1.0
  Zn  Zn1  8  0.2433  0.1753  0.3729  1.0
  Zn  Zn2  4  0.0000  0.0061  0.1388  1.0
  Zn  Zn3  4  0.0000  0.2564  0.1397  1.0
  Ga  Ga4  4  0.0000  0.2565  0.6069  1.0
  Au  Au5  8  0.1640  0.1385  0.8720  1.0
  Au  Au6  4  0.0000  0.4203  0.8694  1.0
]