data_[Tl8Hg14Bi2]
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 [14.8983]
_cell_length_b [6.2276]
_cell_length_c [9.9876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4Hg7Bi]
_chemical_formula_sum '[Tl8 Hg14 Bi2]'
_cell_volume [748.7265]
_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  0.0068  0.5000  0.6882  1.0
  Tl  Tl1  4  0.2376  0.0000  0.7236  1.0
  Hg  Hg2  4  0.0095  0.0000  0.3377  1.0
  Hg  Hg3  4  0.2304  0.0000  0.0462  1.0
  Hg  Hg4  4  0.2429  0.0000  0.3902  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]