# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51033931
_cell_length_b   3.51033922
_cell_length_c   26.33809795
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb4 Se8'
_cell_volume   281.06914725
_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  0.33333300  0.66666700  0.50000000  1.0
  Nb  Nb1  1  0.00000000  -0.00000000  -0.00000000  1.0
  Nb  Nb2  1  0.00000000  -0.00000000  0.25029380  1.0
  Nb  Nb3  1  0.00000000  -0.00000000  0.74970620  1.0
  Se  Se4  1  0.33333300  0.66666700  0.31290724  1.0
  Se  Se5  1  0.33333300  0.66666700  0.06322020  1.0
  Se  Se6  1  0.33333300  0.66666700  0.68709276  1.0
  Se  Se7  1  0.66666700  0.33333300  0.18773683  1.0
  Se  Se8  1  0.66666700  0.33333300  0.43674775  1.0
  Se  Se9  1  0.66666700  0.33333300  0.56325225  1.0
  Se  Se10  1  0.33333300  0.66666700  0.93677980  1.0
  Se  Se11  1  0.66666700  0.33333300  0.81226317  1.0