data_image0
_chemical_formula_structural       NbS2
_chemical_formula_sum              "Nb1 S2"
_cell_length_a       3.7200717880147276
_cell_length_b       3.720071787657168
_cell_length_c       18.804234482783627
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  0.0  0.0  0.5000000009895743  1.0000
  S   S1        1.0  0.0  0.49999999897083064  0.574322806381071  1.0000
  S   S2        1.0  0.4999999989227725  1.5191496977102675e-19  0.4256771950662824  1.0000