# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49931457
_cell_length_b   3.49843671
_cell_length_c   12.42600941
_cell_angle_alpha   85.96185866
_cell_angle_beta   81.90551003
_cell_angle_gamma   59.99171022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb1 Se2'
_cell_volume   130.41710208
_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  0.07529673  0.84940654  -0.00000000  1.0
  Se  Se1  1  0.80996525  0.51629673  0.86377176  1.0
  Se  Se2  1  0.67373702  0.51629673  0.13622824  1.0