data_[Tl14Hg4Bi4]
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 [Imm2]
_cell_length_a [5.5596]
_cell_length_b [14.1524]
_cell_length_c [9.1026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(HgBi)2]
_chemical_formula_sum '[Tl14 Hg4 Bi4]'
_cell_volume [716.2107]
_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  0.0000  0.1339  0.3154  1.0
  Tl  Tl1  4  0.0000  0.1468  0.9191  1.0
  Tl  Tl2  4  0.0000  0.3677  0.1256  1.0
  Tl  Tl3  2  0.0000  0.5000  0.4586  1.0
  Hg  Hg4  2  0.0000  0.0000  0.6306  1.0
  Hg  Hg5  2  0.0000  0.5000  0.8185  1.0
  Bi  Bi6  4  0.0000  0.2807  0.6130  1.0
]