data_[Tl6In2Hg2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8237]
_cell_length_b [3.3490]
_cell_length_c [12.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3InHgBi]
_chemical_formula_sum '[Tl6 In2 Hg2 Bi2]'
_cell_volume [374.1428]
_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  0.1704  0.7500  0.7591  1.0
  Tl  Tl1  2  0.1785  0.2500  0.5097  1.0
  Tl  Tl2  2  0.1847  0.2500  0.0156  1.0
  In  In3  2  0.4802  0.2500  0.3680  1.0
  Hg  Hg4  2  0.4947  0.2500  0.8664  1.0
  Bi  Bi5  2  0.1553  0.7500  0.2585  1.0
]