# generated using pymatgen
data_NbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52097591
_cell_length_b   10.32276785
_cell_length_c   15.85827779
_cell_angle_alpha   108.97351521
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe3
_chemical_formula_sum   'Nb6 Se18'
_cell_volume   545.07262710
_cell_formula_units_Z   6
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  0.75000000  0.83809466  0.53903132  1.0
  Nb  Nb1  1  0.25000000  0.16190534  0.46096868  1.0
  Nb  Nb2  1  0.75000000  0.88373980  0.20840822  1.0
  Nb  Nb3  1  0.25000000  0.11626020  0.79159178  1.0
  Nb  Nb4  1  0.75000000  0.53440877  0.88396493  1.0
  Nb  Nb5  1  0.25000000  0.46559123  0.11603507  1.0
  Se  Se6  1  0.75000000  0.32531670  0.57365120  1.0
  Se  Se7  1  0.25000000  0.67468330  0.42634880  1.0
  Se  Se8  1  0.75000000  0.96036592  0.40673073  1.0
  Se  Se9  1  0.25000000  0.03963408  0.59326927  1.0
  Se  Se10  1  0.75000000  0.33132430  0.42555737  1.0
  Se  Se11  1  0.25000000  0.66867570  0.57444263  1.0
  Se  Se12  1  0.25000000  0.37890909  0.93224974  1.0
  Se  Se13  1  0.75000000  0.62109091  0.06775026  1.0
  Se  Se14  1  0.25000000  0.74074911  0.91693142  1.0
  Se  Se15  1  0.75000000  0.25925089  0.08306858  1.0
  Se  Se16  1  0.25000000  0.56773366  0.76711510  1.0
  Se  Se17  1  0.75000000  0.43226634  0.23288490  1.0
  Se  Se18  1  0.25000000  0.91252667  0.09149556  1.0
  Se  Se19  1  0.75000000  0.08747333  0.90850444  1.0
  Se  Se20  1  0.25000000  0.08650363  0.27785027  1.0
  Se  Se21  1  0.75000000  0.91349637  0.72214973  1.0
  Se  Se22  1  0.25000000  0.71907183  0.24843778  1.0
  Se  Se23  1  0.75000000  0.28092817  0.75156222  1.0