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 [P1]
_cell_length_a [5.5636]
_cell_length_b [5.7514]
_cell_length_c [5.9217]
_cell_angle_alpha [76.4611]
_cell_angle_beta [66.9478]
_cell_angle_gamma [63.0023]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlHgAu]
_chemical_formula_sum '[Tl2 Hg2 Au2]'
_cell_volume [154.9879]
_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  1  0.2107  0.5120  0.1745  1.0
  Tl  Tl1  1  0.3938  0.8409  0.4742  1.0
  Hg  Hg2  1  0.7243  0.2235  0.4797  1.0
  Hg  Hg3  1  0.9156  0.5336  0.7751  1.0
  Au  Au4  1  0.3592  0.0116  0.9385  1.0
  Au  Au5  1  0.8210  0.0442  0.9939  1.0
]