# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68029648
_cell_length_b   4.68029648
_cell_length_c   46.88312644
_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   Nb22
_cell_volume   889.3934494
_cell_formula_units_Z   22
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  0.164532  0.581910  0.304930  1
  Nb  Nb2  1  0.831199  0.915244  0.317198  1
  Nb  Nb3  1  0.497866  0.248577  0.335198  1
  Nb  Nb4  1  0.164532  0.581910  0.357301  1
  Nb  Nb5  1  0.831199  0.915244  0.374858  1
  Nb  Nb6  1  0.497866  0.248577  0.397064  1
  Nb  Nb7  1  0.164532  0.581910  0.417111  1
  Nb  Nb8  1  0.831199  0.915244  0.437030  1
  Nb  Nb9  1  0.497866  0.248577  0.457445  1
  Nb  Nb10  1  0.164532  0.581910  0.477647  1
  Nb  Nb11  1  0.831199  0.915244  0.497820  1
  Nb  Nb12  1  0.497866  0.248577  0.518156  1
  Nb  Nb13  1  0.164532  0.581910  0.538330  1
  Nb  Nb14  1  0.831199  0.915244  0.558531  1
  Nb  Nb15  1  0.497866  0.248577  0.578946  1
  Nb  Nb16  1  0.164532  0.581910  0.598866  1
  Nb  Nb17  1  0.831199  0.915244  0.618912  1
  Nb  Nb18  1  0.497866  0.248577  0.641118  1
  Nb  Nb19  1  0.164532  0.581910  0.658675  1
  Nb  Nb20  1  0.831199  0.915244  0.680778  1
  Nb  Nb21  1  0.497866  0.248577  0.698778  1
  Nb  Nb22  1  0.164532  0.581910  0.711046  1
