data_[Li6Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4876]
_cell_length_b [7.5002]
_cell_length_c [6.3742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3SbS4]
_chemical_formula_sum '[Li6 Sb2 S8]'
_cell_volume [292.2496]
_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  2  0.0000  0.3885  0.2500  1.0
  Li  Li1  2  0.5000  0.1453  0.2500  1.0
  Li  Li2  2  0.5000  0.3817  0.7500  1.0
  Sb  Sb3  2  0.0000  0.1380  0.7500  1.0
  S  S4  4  0.2338  0.1107  0.5016  1.0
  S  S5  4  0.2521  0.3628  0.9792  1.0
]