data_[Tl6Hg6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2888]
_cell_length_b [10.8860]
_cell_length_c [10.6090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl3Hg3Au4]
_chemical_formula_sum '[Tl6 Hg6 Au8]'
_cell_volume [495.3167]
_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  4  0.5000  0.1679  0.4979  1
  Tl  Tl1  2  0.5000  0.0000  0.8311  1
  Hg  Hg2  4  0.0000  0.2430  0.7555  1
  Hg  Hg3  2  0.5000  0.0000  0.1677  1
  Au  Au4  4  0.0000  0.1307  0.0104  1
  Au  Au5  2  0.0000  0.0000  0.3508  1
  Au  Au6  2  0.0000  0.0000  0.6226  1
]