# generated using pymatgen
data_Li2NbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20382121
_cell_length_b   6.20382121
_cell_length_c   12.46371516
_cell_angle_alpha   84.41977950
_cell_angle_beta   84.41977950
_cell_angle_gamma   119.54929554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbS3
_chemical_formula_sum   'Li8 Nb4 S12'
_cell_volume   409.44342952
_cell_formula_units_Z   4
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  0.85236100  0.67742100  0.99943700  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.91290900  0.08709100  0.75000000  1
  Li  Li3  1  0.50000000  0.00000000  0.00000000  1
  Li  Li4  1  0.32257900  0.14763900  0.50056300  1
  Li  Li5  1  0.67742100  0.85236100  0.49943700  1
  Li  Li6  1  0.08709100  0.91290900  0.25000000  1
  Li  Li7  1  0.14763900  0.32257900  0.00056300  1
  Nb  Nb8  1  0.72749100  0.27250900  0.25000000  1
  Nb  Nb9  1  0.55405600  0.44594400  0.75000000  1
  Nb  Nb10  1  0.44594400  0.55405600  0.25000000  1
  Nb  Nb11  1  0.27250900  0.72749100  0.75000000  1
  S  S12  1  0.94945500  0.77403500  0.63523600  1
  S  S13  1  0.70482200  0.53235300  0.38009100  1
  S  S14  1  0.87691600  0.39930300  0.86423400  1
  S  S15  1  0.46764700  0.29517800  0.11990900  1
  S  S16  1  0.77403500  0.94945500  0.13523600  1
  S  S17  1  0.39930300  0.87691600  0.36423400  1
  S  S18  1  0.60069700  0.12308400  0.63576600  1
  S  S19  1  0.22596500  0.05054500  0.86476400  1
  S  S20  1  0.53235300  0.70482200  0.88009100  1
  S  S21  1  0.12308400  0.60069700  0.13576600  1
  S  S22  1  0.29517800  0.46764700  0.61990900  1
  S  S23  1  0.05054500  0.22596500  0.36476400  1
