# generated using pymatgen
data_Li(NbS2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83374678
_cell_length_b   5.83374808
_cell_length_c   13.09057802
_cell_angle_alpha   85.70214978
_cell_angle_beta   85.70214616
_cell_angle_gamma   120.00778046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(NbS2)6
_chemical_formula_sum   'Li1 Nb6 S12'
_cell_volume   381.43072225
_cell_formula_units_Z   1
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  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.08438556  0.08438556  0.74666882  1.0
  Nb  Nb2  1  0.41772241  0.75117928  0.74791289  1.0
  Nb  Nb3  1  0.75117928  0.41772241  0.74791289  1.0
  Nb  Nb4  1  0.24882072  0.58227759  0.25208711  1.0
  Nb  Nb5  1  0.58227759  0.24882072  0.25208711  1.0
  Nb  Nb6  1  0.91561444  0.91561444  0.25333118  1.0
  S  S7  1  0.28975237  0.28975237  0.13111855  1.0
  S  S8  1  0.62291862  0.95634645  0.13123380  1.0
  S  S9  1  0.95634645  0.62291862  0.13123380  1.0
  S  S10  1  0.04365355  0.37708138  0.86876620  1.0
  S  S11  1  0.37708138  0.04365355  0.86876620  1.0
  S  S12  1  0.71024763  0.71024763  0.86888145  1.0
  S  S13  1  0.20946767  0.20946767  0.37163930  1.0
  S  S14  1  0.54170563  0.87561742  0.37149164  1.0
  S  S15  1  0.87561742  0.54170563  0.37149164  1.0
  S  S16  1  0.12438258  0.45829437  0.62850836  1.0
  S  S17  1  0.45829437  0.12438258  0.62850836  1.0
  S  S18  1  0.79053233  0.79053233  0.62836070  1.0