data_[Li2Tl2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.4128]
_cell_length_b [7.2644]
_cell_length_c [6.0265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTlS2]
_chemical_formula_sum '[Li2 Tl2 S4]'
_cell_volume [192.4950]
_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  0.0000  0.7820  0.5000  1.0
  Tl  Tl1  2  0.0000  0.4399  0.0000  1.0
  S  S2  4  0.0578  0.1021  0.3311  1.0
]