data_[Ba4Zn2Hg2Au12]
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
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4644]
_cell_length_b [5.5689]
_cell_length_c [9.5098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnHgAu6]
_chemical_formula_sum '[Ba4 Zn2 Hg2 Au12]'
_cell_volume [529.5890]
_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  0.2444  0.5000  0.1974  1.0
  Zn  Zn1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0090  0.2498  0.2739  1.0
  Au  Au4  4  0.2473  0.5000  0.5988  1.0
]