data_[Tl12Zn2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P6_3mc]
_cell_length_a [9.7434]
_cell_length_b [9.7434]
_cell_length_c [7.1403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tl6ZnAu4]
_chemical_formula_sum '[Tl12 Zn2 Au8]'
_cell_volume [587.0407]
_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
[
  Tl  Tl0  6  0.0542  0.5271  0.1353  1
  Tl  Tl1  6  0.1340  0.2681  0.4605  1
  Zn  Zn2  2  0.3333  0.6667  0.7458  1
  Au  Au3  6  0.1870  0.8130  0.8572  1
  Au  Au4  2  0.3333  0.6667  0.3875  1
]