data_[Tl2Hg4Bi1Au2]
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
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1972]
_cell_length_b [6.4252]
_cell_length_c [7.1063]
_cell_angle_alpha [63.7118]
_cell_angle_beta [76.2859]
_cell_angle_gamma [89.2683]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Hg4BiAu2]
_chemical_formula_sum '[Tl2 Hg4 Bi1 Au2]'
_cell_volume [245.0791]
_cell_formula_units_Z [1]
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  0.2710  0.6418  0.3941  1
  Hg  Hg1  2  0.2269  0.0988  0.5062  1
  Hg  Hg2  2  0.2414  0.4704  0.9202  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Au  Au4  2  0.4669  0.8800  0.8787  1
]