# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86826364
_cell_length_b   5.86893885
_cell_length_c   47.46637417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb36
_cell_volume   1415.74778752
_cell_formula_units_Z   36
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  0.944472  0.476237  0.308504  1
  Nb  Nb2  1  0.944472  0.976237  0.308504  1
  Nb  Nb3  1  0.444472  0.976237  0.308504  1
  Nb  Nb4  1  0.444472  0.476237  0.308504  1
  Nb  Nb5  1  0.444449  0.277742  0.355225  1
  Nb  Nb6  1  0.444449  0.777742  0.355225  1
  Nb  Nb7  1  0.944449  0.777742  0.355225  1
  Nb  Nb8  1  0.944449  0.277742  0.355225  1
  Nb  Nb9  1  0.694449  0.777742  0.405505  1
  Nb  Nb10  1  0.694449  0.277742  0.405505  1
  Nb  Nb11  1  0.194449  0.277742  0.405505  1
  Nb  Nb12  1  0.194449  0.777742  0.405505  1
  Nb  Nb13  1  0.944449  0.527742  0.455065  1
  Nb  Nb14  1  0.944449  0.027742  0.455065  1
  Nb  Nb15  1  0.444449  0.027742  0.455065  1
  Nb  Nb16  1  0.444449  0.527742  0.455065  1
  Nb  Nb17  1  0.444449  0.277742  0.504740  1
  Nb  Nb18  1  0.444449  0.777742  0.504740  1
  Nb  Nb19  1  0.944449  0.777742  0.504740  1
  Nb  Nb20  1  0.944449  0.277742  0.504740  1
  Nb  Nb21  1  0.694449  0.777742  0.554414  1
  Nb  Nb22  1  0.694449  0.277742  0.554414  1
  Nb  Nb23  1  0.194449  0.277742  0.554414  1
  Nb  Nb24  1  0.194449  0.777742  0.554414  1
  Nb  Nb25  1  0.944449  0.527742  0.603974  1
  Nb  Nb26  1  0.944449  0.027742  0.603974  1
  Nb  Nb27  1  0.444449  0.027742  0.603974  1
  Nb  Nb28  1  0.444449  0.527742  0.603974  1
  Nb  Nb29  1  0.194449  0.027742  0.654254  1
  Nb  Nb30  1  0.194449  0.527742  0.654254  1
  Nb  Nb31  1  0.694449  0.527742  0.654254  1
  Nb  Nb32  1  0.694449  0.027742  0.654254  1
  Nb  Nb33  1  0.694426  0.829247  0.700974  1
  Nb  Nb34  1  0.694426  0.329247  0.700974  1
  Nb  Nb35  1  0.194426  0.329247  0.700974  1
  Nb  Nb36  1  0.194426  0.829247  0.700974  1
