# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89193237
_cell_length_b   12.97261946
_cell_length_c   46.03579047
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb84
_cell_volume   3429.59501585
_cell_formula_units_Z   84
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  0.133901  0.753221  0.306593  1
  Nb  Nb2  1  0.241173  0.063262  0.329387  1
  Nb  Nb3  1  0.032963  0.440750  0.289251  1
  Nb  Nb4  1  0.036886  0.955911  0.289257  1
  Nb  Nb5  1  0.126816  0.243857  0.306689  1
  Nb  Nb6  1  0.238723  0.561260  0.326963  1
  Nb  Nb7  1  0.536886  0.955911  0.289257  1
  Nb  Nb8  1  0.626816  0.243857  0.306689  1
  Nb  Nb9  1  0.738723  0.561260  0.326963  1
  Nb  Nb10  1  0.633901  0.753221  0.306593  1
  Nb  Nb11  1  0.741173  0.063262  0.329387  1
  Nb  Nb12  1  0.532963  0.440750  0.289251  1
  Nb  Nb13  1  0.452436  0.693861  0.369459  1
  Nb  Nb14  1  0.554032  0.009705  0.390779  1
  Nb  Nb15  1  0.337510  0.374891  0.347711  1
  Nb  Nb16  1  0.335141  0.874083  0.347661  1
  Nb  Nb17  1  0.455049  0.196370  0.370750  1
  Nb  Nb18  1  0.555656  0.510725  0.390138  1
  Nb  Nb19  1  0.835141  0.874083  0.347661  1
  Nb  Nb20  1  0.955049  0.196370  0.370750  1
  Nb  Nb21  1  0.055656  0.510725  0.390138  1
  Nb  Nb22  1  0.952436  0.693861  0.369459  1
  Nb  Nb23  1  0.054032  0.009705  0.390779  1
  Nb  Nb24  1  0.837510  0.374891  0.347711  1
  Nb  Nb25  1  0.766954  0.643502  0.432048  1
  Nb  Nb26  1  0.899161  0.956516  0.454359  1
  Nb  Nb27  1  0.660836  0.329104  0.411496  1
  Nb  Nb28  1  0.658304  0.827366  0.410970  1
  Nb  Nb29  1  0.765717  0.143231  0.432356  1
  Nb  Nb30  1  0.900724  0.457211  0.454455  1
  Nb  Nb31  1  0.158304  0.827366  0.410970  1
  Nb  Nb32  1  0.265717  0.143231  0.432356  1
  Nb  Nb33  1  0.400724  0.457211  0.454455  1
  Nb  Nb34  1  0.266954  0.643502  0.432048  1
  Nb  Nb35  1  0.399161  0.956516  0.454359  1
  Nb  Nb36  1  0.160836  0.329104  0.411496  1
  Nb  Nb37  1  0.292289  0.586027  0.497217  1
  Nb  Nb38  1  0.503881  0.901436  0.517878  1
  Nb  Nb39  1  0.079765  0.269571  0.476781  1
  Nb  Nb40  1  0.079595  0.769913  0.476612  1
  Nb  Nb41  1  0.291187  0.085322  0.497273  1
  Nb  Nb42  1  0.503711  0.401778  0.517709  1
  Nb  Nb43  1  0.579595  0.769913  0.476612  1
  Nb  Nb44  1  0.791187  0.085322  0.497273  1
  Nb  Nb45  1  0.003711  0.401778  0.517709  1
  Nb  Nb46  1  0.792289  0.586027  0.497217  1
  Nb  Nb47  1  0.003881  0.901436  0.517878  1
  Nb  Nb48  1  0.579765  0.269571  0.476781  1
  Nb  Nb49  1  0.817759  0.528118  0.562134  1
  Nb  Nb50  1  0.925172  0.843983  0.583521  1
  Nb  Nb51  1  0.682752  0.214138  0.540035  1
  Nb  Nb52  1  0.684315  0.714833  0.540131  1
  Nb  Nb53  1  0.816522  0.027847  0.562443  1
  Nb  Nb54  1  0.922640  0.342245  0.582994  1
  Nb  Nb55  1  0.184315  0.714833  0.540131  1
  Nb  Nb56  1  0.316522  0.027847  0.562443  1
  Nb  Nb57  1  0.422640  0.342245  0.582994  1
  Nb  Nb58  1  0.317759  0.528118  0.562134  1
  Nb  Nb59  1  0.425172  0.843983  0.583521  1
  Nb  Nb60  1  0.182752  0.214138  0.540035  1
  Nb  Nb61  1  0.128427  0.474978  0.623740  1
  Nb  Nb62  1  0.248335  0.797266  0.646830  1
  Nb  Nb63  1  0.027820  0.160624  0.604352  1
  Nb  Nb64  1  0.029444  0.661644  0.603712  1
  Nb  Nb65  1  0.131040  0.977488  0.625032  1
  Nb  Nb66  1  0.245966  0.296457  0.646779  1
  Nb  Nb67  1  0.529444  0.661644  0.603712  1
  Nb  Nb68  1  0.631040  0.977488  0.625032  1
  Nb  Nb69  1  0.745966  0.296457  0.646779  1
  Nb  Nb70  1  0.628427  0.474978  0.623740  1
  Nb  Nb71  1  0.748335  0.797266  0.646830  1
  Nb  Nb72  1  0.527820  0.160624  0.604352  1
  Nb  Nb73  1  0.456660  0.427492  0.687801  1
  Nb  Nb74  1  0.546590  0.715437  0.705233  1
  Nb  Nb75  1  0.344753  0.110089  0.667528  1
  Nb  Nb76  1  0.342303  0.608087  0.665103  1
  Nb  Nb77  1  0.449575  0.918128  0.687898  1
  Nb  Nb78  1  0.550513  0.230599  0.705239  1
  Nb  Nb79  1  0.842303  0.608087  0.665103  1
  Nb  Nb80  1  0.949575  0.918128  0.687898  1
  Nb  Nb81  1  0.050513  0.230599  0.705239  1
  Nb  Nb82  1  0.956660  0.427492  0.687801  1
  Nb  Nb83  1  0.046590  0.715437  0.705233  1
  Nb  Nb84  1  0.844753  0.110089  0.667528  1
