data_[Ba4Zn6Au4]
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 [11.9423]
_cell_length_b [4.3595]
_cell_length_c [7.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn3Au2]
_chemical_formula_sum '[Ba4 Zn6 Au4]'
_cell_volume [364.0132]
_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
[
  Ba  Ba0  4  0.1320  0.0000  0.7575  1.0
  Zn  Zn1  4  0.1523  0.5000  0.4265  1.0
  Zn  Zn2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  4  0.1371  0.0000  0.2077  1.0
]