data_[Li2Y4Tl2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6087]
_cell_length_b [3.8830]
_cell_length_c [8.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiY2TlS]
_chemical_formula_sum '[Li2 Y4 Tl2 S2]'
_cell_volume [235.6380]
_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  0.4471  0.7500  0.3539  1.0
  Y  Y1  2  0.1162  0.2500  0.3838  1.0
  Y  Y2  2  0.2522  0.2500  0.9866  1.0
  Tl  Tl3  2  0.3214  0.7500  0.7065  1.0
  S  S4  2  0.1442  0.7500  0.1688  1.0
]