data_[Li6Sn12Se6S18]
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 [R-3m]
_cell_length_a [7.7423]
_cell_length_b [7.7423]
_cell_length_c [19.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiSn2SeS3]
_chemical_formula_sum '[Li6 Sn12 Se6 S18]'
_cell_volume [996.1847]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.3907  1
  Sn  Sn1  9  0.0000  0.5000  0.5000  1
  Sn  Sn2  3  0.0000  0.0000  0.0000  1
  Se  Se3  6  0.0000  0.0000  0.2517  1
  S  S4  18  0.0151  0.5076  0.7569  1
]