data_[Tl4In20Hg4Bi8]
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 [Cmc2_1]
_cell_length_a [4.6184]
_cell_length_b [19.1593]
_cell_length_c [12.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TlIn5HgBi2]
_chemical_formula_sum '[Tl4 In20 Hg4 Bi8]'
_cell_volume [1126.3474]
_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  0.4769  0.4508  1.0
  In  In1  4  0.0000  0.0276  0.1245  1.0
  In  In2  4  0.0000  0.2804  0.3480  1.0
  In  In3  4  0.0000  0.3377  0.9969  1.0
  In  In4  4  0.0000  0.3427  0.6761  1.0
  In  In5  4  0.0000  0.4404  0.2162  1.0
  Hg  Hg6  4  0.0000  0.1764  0.0080  1.0
  Bi  Bi7  4  0.0000  0.1080  0.3382  1.0
  Bi  Bi8  4  0.0000  0.1767  0.6653  1.0
]