data_[Tl2In4Hg16Bi2]
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 [C2/m]
_cell_length_a [13.9765]
_cell_length_b [6.1204]
_cell_length_c [10.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn2Hg8Bi]
_chemical_formula_sum '[Tl2 In4 Hg16 Bi2]'
_cell_volume [723.4714]
_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  0.0000  0.0000  0.5000  1.0
  In  In1  4  0.0791  0.5000  0.9297  1.0
  Hg  Hg2  8  0.2218  0.2521  0.3070  1.0
  Hg  Hg3  4  0.0642  0.5000  0.4185  1.0
  Hg  Hg4  4  0.1565  0.0000  0.8667  1.0
  Bi  Bi5  2  0.0000  0.0000  0.0000  1.0
]