data_image0
_chemical_formula_structural       NbSe2
_chemical_formula_sum              "Nb1 Se2"
_cell_length_a       3.481358080237393
_cell_length_b       3.4813580802373925
_cell_length_c       18.366460053367316
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  5.389341755914384e-19  0.0  0.5000000034473896  1.0000
  Se  Se1       1.0  0.6666666662369977  0.3333333325421849  0.5908697804839291  1.0000
  Se  Se2       1.0  0.33333333254218495  0.6666666650843698  0.4091302198772011  1.0000