data_[Li4Si2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1081]
_cell_length_b [6.4087]
_cell_length_c [6.0043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2SiSnS4]
_chemical_formula_sum '[Li4 Si2 Sn2 S8]'
_cell_volume [350.4760]
_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  0.2489  0.3109  0.4866  1.0
  Si  Si1  2  0.0000  0.1718  0.0033  1.0
  Sn  Sn2  2  0.0000  0.7806  0.4645  1.0
  S  S3  4  0.1948  0.3190  0.8899  1.0
  S  S4  2  0.0000  0.1825  0.3651  1.0
  S  S5  2  0.0000  0.8455  0.9140  1.0
]