# generated using pymatgen
data_NbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36953448
_cell_length_b   3.36953448
_cell_length_c   6.64847555
_cell_angle_alpha   75.32080495
_cell_angle_beta   75.32080495
_cell_angle_gamma   59.99999799
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbS2
_chemical_formula_sum   'Nb1 S2'
_cell_volume   62.51091889
_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
  Nb  Nb0  1  0.00026851  0.00026851  0.99919548  1.0
  S  S1  1  0.74886354  0.74886354  0.75341037  1.0
  S  S2  1  0.58486795  0.58486795  0.24539515  1.0