# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61639107
_cell_length_b   10.24838011
_cell_length_c   54.13396078
_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   Nb96
_cell_volume   3577.7335869
_cell_formula_units_Z   96
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  0.910498  1.049604  0.239646  1
  Nb  Nb2  1  0.035628  0.345967  0.263733  1
  Nb  Nb3  1  0.823007  0.737325  0.226373  1
  Nb  Nb4  1  0.658519  0.257867  0.226372  1
  Nb  Nb5  1  0.935689  0.528700  0.238484  1
  Nb  Nb6  1  0.072987  0.838339  0.259663  1
  Nb  Nb7  1  0.158519  0.257867  0.226372  1
  Nb  Nb8  1  0.435689  0.528700  0.238484  1
  Nb  Nb9  1  0.572987  0.838339  0.259663  1
  Nb  Nb10  1  0.410498  1.049604  0.239646  1
  Nb  Nb11  1  0.535628  0.345967  0.263733  1
  Nb  Nb12  1  0.323007  0.737325  0.226373  1
  Nb  Nb13  1  0.378262  0.937883  0.299052  1
  Nb  Nb14  1  0.522459  0.236606  0.320540  1
  Nb  Nb15  1  0.226820  0.634667  0.279337  1
  Nb  Nb16  1  0.226290  1.135001  0.279234  1
  Nb  Nb17  1  0.358955  0.443550  0.301337  1
  Nb  Nb18  1  0.533166  0.739104  0.319192  1
  Nb  Nb19  1  0.726290  1.135001  0.279234  1
  Nb  Nb20  1  0.858955  0.443550  0.301337  1
  Nb  Nb21  1  0.033166  0.739104  0.319192  1
  Nb  Nb22  1  0.878262  0.937883  0.299052  1
  Nb  Nb23  1  0.022459  0.236606  0.320540  1
  Nb  Nb24  1  0.726820  0.634667  0.279337  1
  Nb  Nb25  1  0.838075  0.840221  0.358827  1
  Nb  Nb26  1  0.984188  0.140272  0.379266  1
  Nb  Nb27  1  0.671660  0.542392  0.340058  1
  Nb  Nb28  1  0.682006  1.039114  0.339097  1
  Nb  Nb29  1  0.826006  0.340344  0.359853  1
  Nb  Nb30  1  0.982288  0.642157  0.379226  1
  Nb  Nb31  1  0.182006  1.039114  0.339097  1
  Nb  Nb32  1  0.326006  0.340344  0.359853  1
  Nb  Nb33  1  0.482288  0.642157  0.379226  1
  Nb  Nb34  1  0.338075  0.840221  0.358827  1
  Nb  Nb35  1  0.484188  0.140272  0.379266  1
  Nb  Nb36  1  0.171660  0.542392  0.340058  1
  Nb  Nb37  1  0.290714  0.742234  0.418643  1
  Nb  Nb38  1  0.445493  1.042024  0.438377  1
  Nb  Nb39  1  0.132002  0.442065  0.399244  1
  Nb  Nb40  1  0.141864  0.940856  0.398616  1
  Nb  Nb41  1  0.287380  0.242152  0.418899  1
  Nb  Nb42  1  0.438893  0.542992  0.438725  1
  Nb  Nb43  1  0.641864  0.940856  0.398616  1
  Nb  Nb44  1  0.787380  0.242152  0.418899  1
  Nb  Nb45  1  0.938893  0.542992  0.438725  1
  Nb  Nb46  1  0.790714  0.742234  0.418643  1
  Nb  Nb47  1  0.945493  1.042024  0.438377  1
  Nb  Nb48  1  0.632002  0.442065  0.399244  1
  Nb  Nb49  1  0.746016  0.643467  0.478243  1
  Nb  Nb50  1  0.904728  0.943636  0.497642  1
  Nb  Nb51  1  0.591236  0.343678  0.458509  1
  Nb  Nb52  1  0.597837  0.842709  0.458161  1
  Nb  Nb53  1  0.749350  0.143549  0.477987  1
  Nb  Nb54  1  0.894865  0.444845  0.498270  1
  Nb  Nb55  1  0.097837  0.842709  0.458161  1
  Nb  Nb56  1  0.249350  0.143549  0.477987  1
  Nb  Nb57  1  0.394865  0.444845  0.498270  1
  Nb  Nb58  1  0.246016  0.643467  0.478243  1
  Nb  Nb59  1  0.404728  0.943636  0.497642  1
  Nb  Nb60  1  0.091236  0.343678  0.458509  1
  Nb  Nb61  1  0.198654  0.545481  0.538059  1
  Nb  Nb62  1  0.365070  0.843309  0.556828  1
  Nb  Nb63  1  0.052542  0.245429  0.517620  1
  Nb  Nb64  1  0.054441  0.743544  0.517660  1
  Nb  Nb65  1  0.210724  1.045357  0.537033  1
  Nb  Nb66  1  0.354724  0.346588  0.557790  1
  Nb  Nb67  1  0.554441  0.743544  0.517660  1
  Nb  Nb68  1  0.710724  1.045357  0.537033  1
  Nb  Nb69  1  0.854724  0.346588  0.557790  1
  Nb  Nb70  1  0.698654  0.545481  0.538059  1
  Nb  Nb71  1  0.865070  0.843309  0.556828  1
  Nb  Nb72  1  0.552542  0.245429  0.517620  1
  Nb  Nb73  1  0.658467  0.447818  0.597834  1
  Nb  Nb74  1  0.809910  0.751034  0.617549  1
  Nb  Nb75  1  0.514271  0.149096  0.576346  1
  Nb  Nb76  1  0.503564  0.646597  0.577694  1
  Nb  Nb77  1  0.677775  0.942151  0.595549  1
  Nb  Nb78  1  0.810440  0.250700  0.617652  1
  Nb  Nb79  1  0.003564  0.646597  0.577694  1
  Nb  Nb80  1  0.177775  0.942151  0.595549  1
  Nb  Nb81  1  0.310440  0.250700  0.617652  1
  Nb  Nb82  1  0.158467  0.447818  0.597834  1
  Nb  Nb83  1  0.309910  0.751034  0.617549  1
  Nb  Nb84  1  0.014271  0.149096  0.576346  1
  Nb  Nb85  1  0.126231  0.336097  0.657240  1
  Nb  Nb86  1  0.213722  0.648376  0.670513  1
  Nb  Nb87  1  0.001101  1.039734  0.633153  1
  Nb  Nb88  1  0.963742  0.547363  0.637223  1
  Nb  Nb89  1  0.101041  0.857002  0.658403  1
  Nb  Nb90  1  0.378210  1.127835  0.670514  1
  Nb  Nb91  1  0.463742  0.547363  0.637223  1
  Nb  Nb92  1  0.601041  0.857002  0.658403  1
  Nb  Nb93  1  0.878210  1.127835  0.670514  1
  Nb  Nb94  1  0.626231  0.336097  0.657240  1
  Nb  Nb95  1  0.713722  0.648376  0.670513  1
  Nb  Nb96  1  0.501101  1.039734  0.633153  1
