# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28830936
_cell_length_b   3.28830936
_cell_length_c   49.93949458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb14
_cell_volume   539.994677984
_cell_formula_units_Z   14
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  Nb1  1  0.918163  0.918163  0.280951  1
  Nb  Nb2  1  0.512602  0.512602  0.312069  1
  Nb  Nb3  1  0.004437  0.004437  0.347434  1
  Nb  Nb4  1  0.503039  0.503039  0.379834  1
  Nb  Nb5  1  0.002984  0.002984  0.413574  1
  Nb  Nb6  1  0.502979  0.502979  0.446732  1
  Nb  Nb7  1  0.002979  0.002979  0.480150  1
  Nb  Nb8  1  0.502979  0.502979  0.513422  1
  Nb  Nb9  1  1.002978  1.002978  0.546840  1
  Nb  Nb10  1  0.502973  0.502973  0.579998  1
  Nb  Nb11  1  1.002918  1.002918  0.613738  1
  Nb  Nb12  1  0.501520  0.501520  0.646138  1
  Nb  Nb13  1  0.993355  0.993355  0.681503  1
  Nb  Nb14  1  0.587794  0.587794  0.712621  1
