data_[Tl14Hg8Bi2]
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 [15.5463]
_cell_length_b [6.2315]
_cell_length_c [10.0650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl7Hg4Bi]
_chemical_formula_sum '[Tl14 Hg8 Bi2]'
_cell_volume [782.1261]
_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  0.0026  0.0000  0.3319  1.0
  Tl  Tl1  4  0.2399  0.0000  0.0520  1.0
  Tl  Tl2  4  0.2467  0.0000  0.3938  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  4  0.0068  0.5000  0.6654  1.0
  Hg  Hg5  4  0.2387  0.0000  0.7215  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]