# generated using pymatgen
data_NbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40016430
_cell_length_b   5.89675518
_cell_length_c   13.98479365
_cell_angle_alpha   89.99190879
_cell_angle_beta   89.97039511
_cell_angle_gamma   30.01096486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbS2
_chemical_formula_sum   'Nb2 S4'
_cell_volume   140.24353517
_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
  Nb  Nb0  1  0.99992572  0.00006444  0.00000156  1.0
  Nb  Nb1  1  0.00008073  0.99994647  0.50000003  1.0
  S  S2  1  0.99774704  0.33386985  0.10928507  1.0
  S  S3  1  0.00222341  0.66620469  0.89072601  1.0
  S  S4  1  0.00094460  0.66672842  0.60927454  1.0
  S  S5  1  0.99917850  0.33318512  0.39071378  1.0