data_[Li1Tl1In2Cl6]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9654]
_cell_length_b [7.2771]
_cell_length_c [8.2256]
_cell_angle_alpha [91.4384]
_cell_angle_beta [114.5568]
_cell_angle_gamma [117.5023]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTl(InCl3)2]
_chemical_formula_sum '[Li1 Tl1 In2 Cl6]'
_cell_volume [323.9738]
_cell_formula_units_Z [1]
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  1  0.9680  0.9571  0.1968  1.0
  Tl  Tl1  1  0.9911  0.5013  0.4835  1.0
  In  In2  1  0.3812  0.5881  0.1513  1.0
  In  In3  1  0.4494  0.1382  0.7466  1.0
  Cl  Cl4  1  0.2371  0.8097  0.2556  1.0
  Cl  Cl5  1  0.2618  0.3369  0.3535  1.0
  Cl  Cl6  1  0.5473  0.8190  0.9516  1.0
  Cl  Cl7  1  0.5485  0.3548  0.0902  1.0
  Cl  Cl8  1  0.8166  0.8456  0.4204  1.0
  Cl  Cl9  1  0.9741  0.3467  0.8626  1.0
]