data_[Tl4In16Hg4Bi8]
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 [Cmcm]
_cell_length_a [5.5152]
_cell_length_b [10.4609]
_cell_length_c [17.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlIn4HgBi2]
_chemical_formula_sum '[Tl4 In16 Hg4 Bi8]'
_cell_volume [986.2983]
_cell_formula_units_Z [4]
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  0.0000  0.1761  0.2500  1.0
  In  In1  8  0.0000  0.3517  0.0807  1.0
  In  In2  4  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0000  0.4939  0.2500  1.0
  Hg  Hg4  4  0.0000  0.1243  0.7500  1.0
  Bi  Bi5  8  0.0000  0.3226  0.6019  1.0
]