data_[Tl8In2Hg2Bi2]
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 [8.5637]
_cell_length_b [6.7710]
_cell_length_c [8.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl4InHgBi]
_chemical_formula_sum '[Tl8 In2 Hg2 Bi2]'
_cell_volume [441.3823]
_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  4  0.2615  0.0042  0.3390  1.0
  Tl  Tl1  2  0.0118  0.7500  0.5115  1.0
  Tl  Tl2  2  0.4285  0.2500  0.7750  1.0
  In  In3  2  0.1570  0.7500  0.9338  1.0
  Hg  Hg4  2  0.4380  0.7500  0.7707  1.0
  Bi  Bi5  2  0.1390  0.2500  0.9316  1.0
]