data_[Li1Sn1Te2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8556]
_cell_length_b [6.9587]
_cell_length_c [7.3759]
_cell_angle_alpha [115.5989]
_cell_angle_beta [92.8984]
_cell_angle_gamma [117.9135]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSn(TeS3)2]
_chemical_formula_sum '[Li1 Sn1 Te2 S6]'
_cell_volume [265.9289]
_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  1  0.4847  0.9798  0.5083  1.0
  Sn  Sn1  1  0.0108  0.0333  0.0438  1.0
  Te  Te2  1  0.1774  0.3096  0.5972  1.0
  Te  Te3  1  0.7622  0.4103  0.0854  1.0
  S  S4  1  0.1243  0.5149  0.2898  1.0
  S  S5  1  0.2559  0.1197  0.7818  1.0
  S  S6  1  0.3893  0.2124  0.3594  1.0
  S  S7  1  0.6247  0.9631  0.8493  1.0
  S  S8  1  0.8039  0.9473  0.3421  1.0
  S  S9  1  0.8891  0.5441  0.8403  1.0
]