data_[Tl8Hg10Bi2]
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 [I4]
_cell_length_a [9.8774]
_cell_length_b [9.8774]
_cell_length_c [6.5483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tl4Hg5Bi]
_chemical_formula_sum '[Tl8 Hg10 Bi2]'
_cell_volume [638.8705]
_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  8  0.0723  0.6934  0.5532  1.0
  Hg  Hg1  8  0.1018  0.7382  0.0551  1.0
  Hg  Hg2  2  0.0000  0.0000  0.2912  1.0
  Bi  Bi3  2  0.0000  0.0000  0.7652  1.0
]