# generated using pymatgen
data_NbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95873061
_cell_length_b   5.95872958
_cell_length_c   6.46715309
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe4
_chemical_formula_sum   'Nb2 Se8'
_cell_volume   229.62574060
_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  -0.00000000  -0.00000000  0.74999900  1.0
  Nb  Nb1  1  -0.00000000  -0.00000000  0.25000100  1.0
  Se  Se2  1  0.33701917  0.13426383  0.50000000  1.0
  Se  Se3  1  0.66298083  0.86573617  0.50000000  1.0
  Se  Se4  1  0.33701917  0.86573617  0.00000000  1.0
  Se  Se5  1  0.66298083  0.13426383  0.00000000  1.0
  Se  Se6  1  0.13426383  0.66298083  0.50000000  1.0
  Se  Se7  1  0.86573617  0.33701917  0.50000000  1.0
  Se  Se8  1  0.86573617  0.66298083  0.00000000  1.0
  Se  Se9  1  0.13426383  0.33701917  0.00000000  1.0