# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03369027
_cell_length_b   6.03034192
_cell_length_c   48.49621930
_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   Nb28
_cell_volume   1179.64781407
_cell_formula_units_Z   28
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  0.015346  0.901068  0.311464  1
  Nb  Nb2  1  0.515346  0.640682  0.285169  1
  Nb  Nb3  1  0.515346  0.140682  0.285169  1
  Nb  Nb4  1  0.015346  0.401068  0.311464  1
  Nb  Nb5  1  0.015346  0.335392  0.375213  1
  Nb  Nb6  1  0.515346  0.137417  0.342407  1
  Nb  Nb7  1  0.515346  0.637417  0.342407  1
  Nb  Nb8  1  0.015346  0.835392  0.375213  1
  Nb  Nb9  1  0.015346  0.890544  0.437989  1
  Nb  Nb10  1  0.515346  0.584065  0.405844  1
  Nb  Nb11  1  0.515346  0.084065  0.405844  1
  Nb  Nb12  1  0.015346  0.390544  0.437989  1
  Nb  Nb13  1  0.015346  0.334373  0.500999  1
  Nb  Nb14  1  0.515346  0.140628  0.468906  1
  Nb  Nb15  1  0.515346  0.640628  0.468906  1
  Nb  Nb16  1  0.015346  0.834373  0.500999  1
  Nb  Nb17  1  0.015346  0.890935  0.564061  1
  Nb  Nb18  1  0.515346  0.584456  0.531915  1
  Nb  Nb19  1  0.515346  0.084456  0.531915  1
  Nb  Nb20  1  0.015346  0.390935  0.564061  1
  Nb  Nb21  1  0.015346  0.337583  0.627498  1
  Nb  Nb22  1  0.515346  0.139608  0.594691  1
  Nb  Nb23  1  0.515346  0.639608  0.594691  1
  Nb  Nb24  1  0.015346  0.837583  0.627498  1
  Nb  Nb25  1  0.015346  0.834319  0.684735  1
  Nb  Nb26  1  0.515346  0.573932  0.658441  1
  Nb  Nb27  1  0.515346  0.073932  0.658441  1
  Nb  Nb28  1  0.015346  0.334319  0.684735  1
