data_[Li2Tl2Sb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6645]
_cell_length_b [3.8923]
_cell_length_c [8.9854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlSbS3]
_chemical_formula_sum '[Li2 Tl2 Sb2 S6]'
_cell_volume [289.6967]
_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
[
  Li  Li0  2  0.0784  0.2500  0.5945  1.0
  Tl  Tl1  2  0.2142  0.2500  0.2633  1.0
  Sb  Sb2  2  0.3248  0.7500  0.8437  1.0
  S  S3  2  0.1271  0.2500  0.8730  1.0
  S  S4  2  0.2159  0.7500  0.5454  1.0
  S  S5  2  0.4583  0.7500  0.1639  1.0
]