# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49904842
_cell_length_b   3.49904765
_cell_length_c   13.41373919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb2 Se4'
_cell_volume   142.22641608
_cell_formula_units_Z   2
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  0.00000000  -0.00000000  0.75000000  1.0
  Nb  Nb1  1  -0.00000000  -0.00000000  0.25000000  1.0
  Se  Se2  1  0.33333300  0.66666700  0.12540658  1.0
  Se  Se3  1  0.66666700  0.33333300  0.62540658  1.0
  Se  Se4  1  0.33333300  0.66666700  0.37459342  1.0
  Se  Se5  1  0.66666700  0.33333300  0.87459342  1.0