# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65801051
_cell_length_b   7.36822189
_cell_length_c   48.12915738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb40
_cell_volume   1567.0854318
_cell_formula_units_Z   40
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  0.595791  0.379440  0.288143  1
  Nb  Nb2  1  0.833056  0.783767  0.304309  1
  Nb  Nb3  1  0.224306  0.562754  0.293590  1
  Nb  Nb4  1  0.432921  0.993224  0.314689  1
  Nb  Nb5  1  0.033855  0.208149  0.324255  1
  Nb  Nb6  1  0.267383  0.649928  0.346488  1
  Nb  Nb7  1  0.656969  0.433391  0.338240  1
  Nb  Nb8  1  0.877921  0.878949  0.359451  1
  Nb  Nb9  1  0.483565  0.095352  0.370702  1
  Nb  Nb10  1  0.711419  0.543368  0.394291  1
  Nb  Nb11  1  0.098107  0.318819  0.382875  1
  Nb  Nb12  1  0.320578  0.763975  0.405232  1
  Nb  Nb13  1  0.931116  0.986831  0.416917  1
  Nb  Nb14  1  0.154484  0.431254  0.439868  1
  Nb  Nb15  1  0.542601  0.208300  0.428384  1
  Nb  Nb16  1  0.765302  0.653495  0.451269  1
  Nb  Nb17  1  0.376011  0.875559  0.462665  1
  Nb  Nb18  1  0.598630  0.320073  0.485649  1
  Nb  Nb19  1  0.987333  0.097851  0.474200  1
  Nb  Nb20  1  0.209777  0.542438  0.497113  1
  Nb  Nb21  1  0.820667  0.764599  0.508530  1
  Nb  Nb22  1  0.043111  0.209186  0.531443  1
  Nb  Nb23  1  0.431814  0.986965  0.519994  1
  Nb  Nb24  1  0.654433  0.431478  0.542978  1
  Nb  Nb25  1  0.265142  0.653542  0.554374  1
  Nb  Nb26  1  0.487843  0.098737  0.577259  1
  Nb  Nb27  1  0.875960  0.875783  0.565775  1
  Nb  Nb28  1  0.099328  0.320206  0.588726  1
  Nb  Nb29  1  0.709866  0.543062  0.600411  1
  Nb  Nb30  1  0.932337  0.988219  0.622768  1
  Nb  Nb31  1  0.319025  0.763669  0.611353  1
  Nb  Nb32  1  0.546879  0.211685  0.634941  1
  Nb  Nb33  1  0.152523  0.428088  0.646192  1
  Nb  Nb34  1  0.373475  0.873646  0.667403  1
  Nb  Nb35  1  0.763061  0.657109  0.659155  1
  Nb  Nb36  1  0.996589  0.098888  0.681388  1
  Nb  Nb37  1  0.597523  0.313813  0.690954  1
  Nb  Nb38  1  0.806138  0.744283  0.712053  1
  Nb  Nb39  1  0.197388  0.523270  0.701334  1
  Nb  Nb40  1  0.434653  0.927597  0.717500  1
