data_[Li2Tl3Sb1Cl9]
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-3m1]
_cell_length_a [7.2374]
_cell_length_b [7.2374]
_cell_length_c [9.0867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Tl3SbCl9]
_chemical_formula_sum '[Li2 Tl3 Sb1 Cl9]'
_cell_volume [412.1998]
_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  0.3333  0.6667  0.8753  1.0
  Tl  Tl1  2  0.3333  0.6667  0.2697  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1650  0.3301  0.6616  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]