data_[Li8Sn4Se4S8]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.2669]
_cell_length_b [7.0589]
_cell_length_c [6.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li2SnSeS2]
_chemical_formula_sum '[Li8 Sn4 Se4 S8]'
_cell_volume [575.2846]
_cell_formula_units_Z [4]
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  8  0.1793  0.3489  0.3176  1.0
  Sn  Sn1  4  0.0000  0.1833  0.7860  1.0
  Se  Se2  4  0.0000  0.1748  0.1837  1.0
  S  S3  8  0.1657  0.3288  0.6842  1.0
]