data_[Li2Tl1Sb1Cl8]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2666]
_cell_length_b [7.1878]
_cell_length_c [8.8857]
_cell_angle_alpha [71.0305]
_cell_angle_beta [83.8760]
_cell_angle_gamma [84.1934]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2TlSbCl8]
_chemical_formula_sum '[Li2 Tl1 Sb1 Cl8]'
_cell_volume [375.3968]
_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  2  0.4971  0.0215  0.3316  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1196  0.9733  0.2600  1.0
  Cl  Cl4  2  0.1641  0.3061  0.8809  1.0
  Cl  Cl5  2  0.3274  0.8196  0.9393  1.0
  Cl  Cl6  2  0.4401  0.2583  0.4570  1.0
]