# generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50279856
_cell_length_b   3.50030804
_cell_length_c   38.64910683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02238125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2
_chemical_formula_sum   'Nb4 Se8'
_cell_volume   410.29245659
_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  0.23874751  -0.00085013  0.41455368  1.0
  Nb  Nb1  1  0.24013162  0.00188323  0.58544393  1.0
  Nb  Nb2  1  0.76125249  0.00085013  0.91455368  1.0
  Nb  Nb3  1  0.75986838  0.99811677  0.08544393  1.0
  Se  Se4  1  0.09274160  0.66503389  0.12885754  1.0
  Se  Se5  1  0.42744207  0.33406929  0.87114043  1.0
  Se  Se6  1  0.90576769  0.33509417  0.54232928  1.0
  Se  Se7  1  0.42855494  0.33400111  0.95767414  1.0
  Se  Se8  1  0.57255793  0.66593071  0.37114043  1.0
  Se  Se9  1  0.09423231  0.66490583  0.04232928  1.0
  Se  Se10  1  0.90725840  0.33496611  0.62885754  1.0
  Se  Se11  1  0.57144506  0.66599889  0.45767414  1.0