# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30730594
_cell_length_b   10.28225907
_cell_length_c   54.86865091
_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   Nb48
_cell_volume   1865.89497773
_cell_formula_units_Z   48
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  1.079637  0.428489  0.235714  1
  Nb  Nb2  1  0.129871  0.833844  0.277005  1
  Nb  Nb3  1  0.592121  0.634511  0.258202  1
  Nb  Nb4  1  0.721752  0.240636  0.221075  1
  Nb  Nb5  1  0.627193  0.333844  0.277005  1
  Nb  Nb6  1  0.677427  0.928489  0.235714  1
  Nb  Nb7  1  1.035312  0.740636  0.221075  1
  Nb  Nb8  1  0.164943  0.134511  0.258202  1
  Nb  Nb9  1  0.130054  0.232401  0.315401  1
  Nb  Nb10  1  1.128015  0.630459  0.353698  1
  Nb  Nb11  1  0.625120  0.431568  0.334526  1
  Nb  Nb12  1  0.640605  0.031925  0.295466  1
  Nb  Nb13  1  0.629049  0.130459  0.353698  1
  Nb  Nb14  1  0.627010  0.732401  0.315401  1
  Nb  Nb15  1  1.116459  0.531925  0.295466  1
  Nb  Nb16  1  0.131944  0.931568  0.334526  1
  Nb  Nb17  1  0.128804  0.029050  0.392326  1
  Nb  Nb18  1  1.128339  0.427466  0.430890  1
  Nb  Nb19  1  0.628179  0.228220  0.411596  1
  Nb  Nb20  1  0.629605  0.829862  0.373091  1
  Nb  Nb21  1  0.628725  0.927466  0.430890  1
  Nb  Nb22  1  0.628260  0.529050  0.392326  1
  Nb  Nb23  1  1.127459  0.329862  0.373091  1
  Nb  Nb24  1  0.128885  0.728220  0.411596  1
  Nb  Nb25  1  0.128885  0.825905  0.469445  1
  Nb  Nb26  1  1.127459  0.224262  0.507949  1
  Nb  Nb27  1  0.628260  0.025075  0.488715  1
  Nb  Nb28  1  0.628725  0.626659  0.450150  1
  Nb  Nb29  1  0.629605  0.724262  0.507949  1
  Nb  Nb30  1  0.628179  0.325905  0.469445  1
  Nb  Nb31  1  1.128339  0.126659  0.450150  1
  Nb  Nb32  1  0.128804  0.525075  0.488715  1
  Nb  Nb33  1  0.131944  0.622557  0.546515  1
  Nb  Nb34  1  1.116459  0.022200  0.585575  1
  Nb  Nb35  1  0.627010  0.821724  0.565640  1
  Nb  Nb36  1  0.629049  0.423666  0.527342  1
  Nb  Nb37  1  0.640605  0.522200  0.585575  1
  Nb  Nb38  1  0.625120  0.122557  0.546515  1
  Nb  Nb39  1  1.128015  0.923666  0.527342  1
  Nb  Nb40  1  0.130054  0.321724  0.565640  1
  Nb  Nb41  1  0.164943  0.419614  0.622838  1
  Nb  Nb42  1  1.035312  0.813489  0.659966  1
  Nb  Nb43  1  0.677427  0.625636  0.645326  1
  Nb  Nb44  1  0.627193  0.220280  0.604036  1
  Nb  Nb45  1  0.721752  0.313489  0.659966  1
  Nb  Nb46  1  0.592121  0.919614  0.622838  1
  Nb  Nb47  1  0.129871  0.720280  0.604036  1
  Nb  Nb48  1  1.079637  0.125636  0.645326  1
