data_[Tl6Hg6Bi4]
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 [C2/m]
_cell_length_a [15.9862]
_cell_length_b [5.3081]
_cell_length_c [6.2384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Hg3Bi2]
_chemical_formula_sum '[Tl6 Hg6 Bi4]'
_cell_volume [500.6565]
_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  0.1279  0.0000  0.5742  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1246  0.5000  0.1992  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Bi  Bi4  4  0.2369  0.0000  0.1442  1
]