data_image0
_chemical_formula_structural       NbSe2
_chemical_formula_sum              "Nb1 Se2"
_cell_length_a       3.4715297364547646
_cell_length_b       3.471529736454764
_cell_length_c       18.355447505506284
_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  0.0  2.0439409170258228e-42  0.4999999998500096  1.0000
  Se  Se1       1.0  0.666666666525185  0.3333333320291385  0.5913264885938624  1.0000
  Se  Se2       1.0  0.666666666525185  0.3333333320291385  0.4086735111061568  1.0000