data_[Li4Tl4Hg8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5428]
_cell_length_b [14.0296]
_cell_length_c [8.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(HgBr3)2]
_chemical_formula_sum '[Li4 Tl4 Hg8 Br24]'
_cell_volume [1547.5357]
_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
[
  Li  Li0  4  0.0000  0.1969  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1228  0.2500  1.0
  Hg  Hg2  8  0.1863  0.4231  0.1627  1.0
  Br  Br3  8  0.1142  0.0733  0.6748  1.0
  Br  Br4  8  0.1224  0.2504  0.0516  1.0
  Br  Br5  8  0.1308  0.4252  0.4608  1.0
]