data_[Ba6Zn14Au8]
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 [17.3625]
_cell_length_b [4.4771]
_cell_length_c [9.8274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Zn7Au4]
_chemical_formula_sum '[Ba6 Zn14 Au8]'
_cell_volume [657.1034]
_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  0.2073  0.5000  0.1835  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0101  0.5000  0.1882  1
  Zn  Zn3  4  0.1045  0.0000  0.8868  1
  Zn  Zn4  4  0.1721  0.5000  0.5114  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1241  0.0000  0.3314  1
  Au  Au7  4  0.1357  0.5000  0.7671  1
]