# generated using pymatgen
data_Nb2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34921500
_cell_length_b   7.90583068
_cell_length_c   10.33143323
_cell_angle_alpha   63.05040471
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.06452129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Se3
_chemical_formula_sum   'Nb4 Se6'
_cell_volume   214.55372342
_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  0.01236800  0.01236800  0.58550800  1.0
  Nb  Nb1  1  0.02701400  0.52701400  0.74711000  1.0
  Nb  Nb2  1  0.99398000  0.99398000  0.94508100  1.0
  Nb  Nb3  1  0.00360800  0.50360800  0.09385700  1.0
  Se  Se4  1  0.25061300  0.75061300  0.19269000  1.0
  Se  Se5  1  0.68145400  0.68145400  0.86231600  1.0
  Se  Se6  1  0.69910000  0.69910000  0.52650500  1.0
  Se  Se7  1  0.28368800  0.28368800  0.31441200  1.0
  Se  Se8  1  0.69192200  0.19192200  0.02895300  1.0
  Se  Se9  1  0.68958500  0.18958500  0.70356800  1.0