data_[Tl2Hg2Au2]
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 [P-1]
_cell_length_a [4.2495]
_cell_length_b [5.8029]
_cell_length_c [6.9557]
_cell_angle_alpha [77.2947]
_cell_angle_beta [73.7378]
_cell_angle_gamma [71.8236]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHgAu]
_chemical_formula_sum '[Tl2 Hg2 Au2]'
_cell_volume [154.7814]
_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  2  0.0817  0.6796  0.1599  1.0
  Hg  Hg1  2  0.3539  0.7584  0.5487  1.0
  Au  Au2  2  0.3312  0.1287  0.1694  1.0
]