# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00676599
_cell_length_b   7.00676615
_cell_length_c   7.00676515
_cell_angle_alpha   28.92245227
_cell_angle_beta   28.92243936
_cell_angle_gamma   28.92245601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb1 Se2'
_cell_volume   71.15669005
_cell_formula_units_Z   1
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  0.33249840  0.33249840  0.33249840  1.0
  Se  Se1  1  0.58285490  0.58285490  0.58285490  1.0
  Se  Se2  1  0.74897870  0.74897870  0.74897870  1.0