# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51110718
_cell_length_b   3.51052013
_cell_length_c   26.39847365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00552182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb4 Se8'
_cell_volume   281.77394689
_cell_formula_units_Z   4
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  0.99914529  0.99829058  0.50000000  1.0
  Nb  Nb1  1  0.33319393  0.66638786  0.00000000  1.0
  Nb  Nb2  1  0.00036551  0.00073102  0.74720613  1.0
  Nb  Nb3  1  0.00036551  0.00073102  0.25279387  1.0
  Se  Se4  1  0.99971088  0.99942176  0.93684044  1.0
  Se  Se5  1  0.99971088  0.99942176  0.06315956  1.0
  Se  Se6  1  0.33413945  0.66827989  0.68477707  1.0
  Se  Se7  1  0.33413945  0.66827989  0.31522293  1.0
  Se  Se8  1  0.66722781  0.33445761  0.80982238  1.0
  Se  Se9  1  0.66722781  0.33445761  0.19017762  1.0
  Se  Se10  1  0.66573574  0.33147149  0.56306090  1.0
  Se  Se11  1  0.66573574  0.33147149  0.43693910  1.0