data_[Tl2Hg8Bi6]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9567]
_cell_length_b [7.3440]
_cell_length_c [9.2497]
_cell_angle_alpha [90.0328]
_cell_angle_beta [90.0338]
_cell_angle_gamma [92.5665]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlHg4Bi3]
_chemical_formula_sum '[Tl2 Hg8 Bi6]'
_cell_volume [472.0926]
_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  0.5139  0.5092  0.6834  1
  Tl  Tl1  1  0.9799  0.4888  0.1836  1
  Hg  Hg2  1  0.0108  0.4973  0.6952  1
  Hg  Hg3  1  0.2483  0.7471  0.9327  1
  Hg  Hg4  1  0.2504  0.2516  0.4329  1
  Hg  Hg5  1  0.4849  0.5073  0.1953  1
  Hg  Hg6  1  0.5241  0.0237  0.1826  1
  Hg  Hg7  1  0.7356  0.7339  0.9477  1
  Hg  Hg8  1  0.7632  0.2658  0.4488  1
  Hg  Hg9  1  0.9837  0.9796  0.6806  1
  Bi  Bi10  1  0.0378  0.9908  0.1826  1
  Bi  Bi11  1  0.2113  0.7432  0.4438  1
  Bi  Bi12  1  0.2900  0.2552  0.9473  1
  Bi  Bi13  1  0.4665  0.0079  0.6843  1
  Bi  Bi14  1  0.7120  0.7827  0.4158  1
  Bi  Bi15  1  0.7875  0.2159  0.9129  1
]