data_[Tl24Hg12Bi4]
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 [Cmc2_1]
_cell_length_a [12.9971]
_cell_length_b [12.6514]
_cell_length_c [7.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl6Hg3Bi]
_chemical_formula_sum '[Tl24 Hg12 Bi4]'
_cell_volume [1263.1538]
_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  8  0.1524  0.0546  0.3219  1
  Tl  Tl1  8  0.2257  0.2112  0.7823  1
  Tl  Tl2  4  0.0000  0.3352  0.2865  1
  Tl  Tl3  4  0.0000  0.3780  0.8291  1
  Hg  Hg4  8  0.1562  0.4747  0.5510  1
  Hg  Hg5  4  0.0000  0.1561  0.5867  1
  Bi  Bi6  4  0.0000  0.1349  0.0020  1
]