data_[Li4Zr2Tl4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5474]
_cell_length_b [3.8949]
_cell_length_c [7.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zr(TlS2)2]
_chemical_formula_sum '[Li4 Zr2 Tl4 S8]'
_cell_volume [400.1901]
_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  4  0.1797  0.5000  0.9789  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1404  0.0000  0.5578  1.0
  S  S3  4  0.0134  0.5000  0.7755  1.0
  S  S4  4  0.1892  0.0000  0.1661  1.0
]