# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67113450
_cell_length_b   7.59663817
_cell_length_c   49.05460135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb96
_cell_volume   3896.2552686
_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  0.889980  0.289466  0.291619  1
  Nb  Nb2  1  0.370332  0.665104  0.287605  1
  Nb  Nb3  1  0.322922  1.042131  0.324470  1
  Nb  Nb4  1  0.821707  0.582042  0.324741  1
  Nb  Nb5  1  0.633124  0.402003  0.288982  1
  Nb  Nb6  1  0.130309  0.971564  0.287868  1
  Nb  Nb7  1  0.073819  0.309539  0.326087  1
  Nb  Nb8  1  0.569986  0.792648  0.324393  1
  Nb  Nb9  1  0.786302  0.243178  0.342605  1
  Nb  Nb10  1  0.407169  0.962724  0.276162  1
  Nb  Nb11  1  0.354012  0.347583  0.303370  1
  Nb  Nb12  1  0.852897  0.912094  0.304815  1
  Nb  Nb13  1  0.621626  1.093786  0.304682  1
  Nb  Nb14  1  0.087488  0.606968  0.303222  1
  Nb  Nb15  1  0.176988  0.264805  0.274806  1
  Nb  Nb16  1  0.670494  0.695032  0.278868  1
  Nb  Nb17  1  0.748053  0.921897  0.361141  1
  Nb  Nb18  1  0.252413  0.417709  0.358833  1
  Nb  Nb19  1  0.174790  0.775135  0.395701  1
  Nb  Nb20  1  0.674440  0.280492  0.396737  1
  Nb  Nb21  1  0.500762  0.164589  0.359367  1
  Nb  Nb22  1  -0.001782  0.673030  0.359739  1
  Nb  Nb23  1  -0.073945  1.028079  0.396805  1
  Nb  Nb24  1  0.424897  0.526621  0.395490  1
  Nb  Nb25  1  0.638030  0.957973  0.415014  1
  Nb  Nb26  1  0.279331  0.724953  0.338152  1
  Nb  Nb27  1  0.212537  1.086417  0.378270  1
  Nb  Nb28  1  0.712542  0.597396  0.379132  1
  Nb  Nb29  1  0.460599  0.837525  0.378374  1
  Nb  Nb30  1  -0.036848  0.345832  0.378481  1
  Nb  Nb31  1  0.029104  0.981103  0.339378  1
  Nb  Nb32  1  0.539103  0.478104  0.339305  1
  Nb  Nb33  1  0.602204  0.637606  0.433472  1
  Nb  Nb34  1  0.103357  0.134863  0.433149  1
  Nb  Nb35  1  0.030242  0.495441  0.469770  1
  Nb  Nb36  1  0.529089  0.998440  0.469801  1
  Nb  Nb37  1  0.352467  0.884511  0.433175  1
  Nb  Nb38  1  0.853291  0.386909  0.433470  1
  Nb  Nb39  1  0.779659  0.747385  0.469884  1
  Nb  Nb40  1  0.279703  0.246312  0.469645  1
  Nb  Nb41  1  0.492696  0.677282  0.488149  1
  Nb  Nb42  1  0.139870  0.453653  0.414287  1
  Nb  Nb43  1  0.066497  0.814192  0.451336  1
  Nb  Nb44  1  0.564972  0.317877  0.451293  1
  Nb  Nb45  1  0.315581  0.564773  0.451036  1
  Nb  Nb46  1  0.815901  1.066902  0.451512  1
  Nb  Nb47  1  0.889684  0.706519  0.415130  1
  Nb  Nb48  1  0.388647  0.204267  0.414205  1
  Nb  Nb49  1  0.456219  0.358002  0.506510  1
  Nb  Nb50  1  -0.043033  0.855599  0.506439  1
  Nb  Nb51  1  0.882599  0.216370  0.542720  1
  Nb  Nb52  1  0.383920  0.719180  0.543198  1
  Nb  Nb53  1  0.207076  0.606416  0.506486  1
  Nb  Nb54  1  0.705996  1.106983  0.506405  1
  Nb  Nb55  1  0.633391  0.467196  0.543001  1
  Nb  Nb56  1  0.133583  0.967321  0.543046  1
  Nb  Nb57  1  0.347027  0.397888  0.561709  1
  Nb  Nb58  1  -0.006718  0.175038  0.488056  1
  Nb  Nb59  1  -0.079354  0.535921  0.524650  1
  Nb  Nb60  1  0.419549  1.038012  0.524886  1
  Nb  Nb61  1  0.170198  0.286613  0.524798  1
  Nb  Nb62  1  0.670080  0.786730  0.524652  1
  Nb  Nb63  1  0.742793  0.426649  0.488081  1
  Nb  Nb64  1  0.243181  0.925623  0.488064  1
  Nb  Nb65  1  0.308931  1.080373  0.580283  1
  Nb  Nb66  1  0.811999  0.575168  0.579435  1
  Nb  Nb67  1  0.736159  0.930488  0.617308  1
  Nb  Nb68  1  0.239861  0.442613  0.617724  1
  Nb  Nb69  1  0.061170  0.328741  0.579676  1
  Nb  Nb70  1  0.561850  0.828034  0.579710  1
  Nb  Nb71  1  0.488587  0.189799  0.616952  1
  Nb  Nb72  1  -0.012873  0.688813  0.616795  1
  Nb  Nb73  1  0.196568  0.134683  0.636710  1
  Nb  Nb74  1  0.846826  0.894368  0.561346  1
  Nb  Nb75  1  0.772700  0.252723  0.597535  1
  Nb  Nb76  1  0.275010  0.761669  0.598057  1
  Nb  Nb77  1  0.020210  1.010691  0.597041  1
  Nb  Nb78  1  0.524810  0.506814  0.597789  1
  Nb  Nb79  1  0.596355  0.145184  0.561531  1
  Nb  Nb80  1  0.098373  0.646962  0.561670  1
  Nb  Nb81  1  0.163171  0.820612  0.649965  1
  Nb  Nb82  1  0.666122  0.294680  0.653154  1
  Nb  Nb83  1  0.616474  0.652790  0.684152  1
  Nb  Nb84  1  0.128036  0.213938  0.686236  1
  Nb  Nb85  1  0.904293  1.052039  0.652645  1
  Nb  Nb86  1  0.422267  0.546020  0.653144  1
  Nb  Nb87  1  0.335694  0.861699  0.684022  1
  Nb  Nb88  1  0.882831  0.385157  0.684358  1
  Nb  Nb89  1  0.042110  0.948719  0.693978  1
  Nb  Nb90  1  0.705570  0.604216  0.634459  1
  Nb  Nb91  1  0.620942  0.956928  0.670603  1
  Nb  Nb92  1  0.149397  0.530360  0.672858  1
  Nb  Nb93  1  0.887434  0.707805  0.671165  1
  Nb  Nb94  1  0.391044  0.219405  0.669445  1
  Nb  Nb95  1  0.451902  0.866676  0.634276  1
  Nb  Nb96  1  -0.043030  0.367663  0.634681  1
