data_[Ba4Tl2Zn2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  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 [13.7001]
_cell_length_b [5.5610]
_cell_length_c [9.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2TlZnAu6]
_chemical_formula_sum '[Ba4 Tl2 Zn2 Au12]'
_cell_volume [539.5766]
_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  0.2494  0.0000  0.7920  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.5000  1.0
  Au  Au3  8  0.0087  0.2497  0.2748  1.0
  Au  Au4  4  0.2458  0.5000  0.5942  1.0
]