data_image0
_chemical_formula_structural       NbS2
_chemical_formula_sum              "Nb1 S2"
_cell_length_a       3.346682602229557
_cell_length_b       3.346682602229557
_cell_length_c       11.22656451465229
_cell_angle_alpha    94.27750661935337
_cell_angle_beta     94.27750661935337
_cell_angle_gamma    119.97280835103159

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Nb1       1.0  0.0023856342999999574  0.997614963  0.0  1.0000
  S   S1        1.0  0.4064360968  0.7348204697  0.1412559691  1.0000
  S   S2        1.0  0.26518014429999986  0.5935645171999999  0.8587446614  1.0000