data_[Li2Sn1Te1S4]
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 [3.9044]
_cell_length_b [6.7178]
_cell_length_c [6.8309]
_cell_angle_alpha [99.5328]
_cell_angle_beta [105.4179]
_cell_angle_gamma [90.9868]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2SnTeS4]
_chemical_formula_sum '[Li2 Sn1 Te1 S4]'
_cell_volume [169.9800]
_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  0.3690  0.2378  0.4950  1.0
  Li  Li1  1  0.5595  0.0026  0.9384  1.0
  Sn  Sn2  1  0.1367  0.4756  0.0027  1.0
  Te  Te3  1  0.8395  0.7553  0.4856  1.0
  S  S4  1  0.2869  0.8588  0.2259  1.0
  S  S5  1  0.4870  0.6205  0.7071  1.0
  S  S6  1  0.7421  0.3394  0.2174  1.0
  S  S7  1  0.9662  0.0972  0.7020  1.0
]