data_[Li8Nb16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2729]
_cell_length_b [10.2729]
_cell_length_c [10.2729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Li(NbS2)2]
_chemical_formula_sum '[Li8 Nb16 S32]'
_cell_volume [1084.1388]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0000  1
  Li  Li1  4  0.2500  0.2500  0.7500  1
  Nb  Nb2  16  0.1393  0.3607  0.1393  1
  S  S3  16  0.1136  0.1136  0.6136  1
  S  S4  16  0.1244  0.1244  0.1244  1
]