# generated using pymatgen
data_Li2NbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21035355
_cell_length_b   6.21035355
_cell_length_c   6.46246870
_cell_angle_alpha   80.81559434
_cell_angle_beta   80.81559434
_cell_angle_gamma   120.84843419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbS3
_chemical_formula_sum   'Li4 Nb2 S6'
_cell_volume   202.48809130
_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  0.16200200  0.83799800  0.50000000  1.0
  Li  Li1  1  0.83799800  0.16200200  0.50000000  1.0
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1.0
  Li  Li3  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb4  1  0.67747900  0.32252100  0.00000000  1.0
  Nb  Nb5  1  0.32252100  0.67747900  0.00000000  1.0
  S  S6  1  0.73465900  0.73465900  0.76953200  1.0
  S  S7  1  0.57821400  0.91922600  0.24544000  1.0
  S  S8  1  0.91922600  0.57821400  0.24544000  1.0
  S  S9  1  0.42178600  0.08077400  0.75456000  1.0
  S  S10  1  0.08077400  0.42178600  0.75456000  1.0
  S  S11  1  0.26534100  0.26534100  0.23046800  1.0