data_[Ba8Zn4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2239]
_cell_length_b [4.6558]
_cell_length_c [12.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnAu2]
_chemical_formula_sum '[Ba8 Zn4 Au8]'
_cell_volume [625.3624]
_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
[
  Ba  Ba0  4  0.0896  0.0000  0.8979  1.0
  Ba  Ba1  4  0.1927  0.5000  0.6433  1.0
  Zn  Zn2  4  0.0808  0.5000  0.3227  1.0
  Au  Au3  4  0.0489  0.0000  0.4104  1.0
  Au  Au4  4  0.1321  0.5000  0.1275  1.0
]