# generated using pymatgen
data_Li2NbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25475400
_cell_length_b   6.20834565
_cell_length_c   6.47947459
_cell_angle_alpha   81.67100180
_cell_angle_beta   79.29060757
_cell_angle_gamma   120.28791559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbS3
_chemical_formula_sum   'Li4 Nb2 S6'
_cell_volume   204.86704790
_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  1  0.13580500  0.82126352  0.49660121  1
  Li  Li1  1  0.86419500  0.17873648  0.50339879  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb4  1  0.64092735  0.28040616  0.99814646  1
  Nb  Nb5  1  0.35907265  0.71959384  0.00185354  1
  S  S6  1  0.72376645  0.72647281  0.77110789  1
  S  S7  1  0.57516467  0.91544784  0.26043708  1
  S  S8  1  0.92582201  0.57302550  0.22894012  1
  S  S9  1  0.42483533  0.08455216  0.73956292  1
  S  S10  1  0.07417799  0.42697450  0.77105988  1
  S  S11  1  0.27623355  0.27352719  0.22889211  1
