# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71456894
_cell_length_b   12.71030046
_cell_length_c   53.58353880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb216
_cell_volume   8616.01502279
_cell_formula_units_Z   216
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  0.293548  0.469022  0.241182  1
  Nb  Nb2  1  0.626881  0.135689  0.241182  1
  Nb  Nb3  1  0.600290  0.387777  0.262154  1
  Nb  Nb4  1  0.960215  0.802355  0.241182  1
  Nb  Nb5  1  0.933624  0.054444  0.262154  1
  Nb  Nb6  1  0.839916  0.393654  0.290387  1
  Nb  Nb7  1  0.266957  0.721111  0.262154  1
  Nb  Nb8  1  0.173249  0.060321  0.290387  1
  Nb  Nb9  1  0.506582  0.726987  0.290387  1
  Nb  Nb10  1  0.126881  0.635689  0.241182  1
  Nb  Nb11  1  0.460215  0.302355  0.241182  1
  Nb  Nb12  1  0.433624  0.554444  0.262154  1
  Nb  Nb13  1  0.793548  0.969022  0.241182  1
  Nb  Nb14  1  0.766957  0.221111  0.262154  1
  Nb  Nb15  1  0.673249  0.560321  0.290387  1
  Nb  Nb16  1  0.100290  0.887777  0.262154  1
  Nb  Nb17  1  1.006582  0.226987  0.290387  1
  Nb  Nb18  1  0.339916  0.893654  0.290387  1
  Nb  Nb19  1  0.225096  0.508450  0.290387  1
  Nb  Nb20  1  0.558429  0.175117  0.290387  1
  Nb  Nb21  1  0.633805  0.628743  0.241182  1
  Nb  Nb22  1  0.891763  0.841784  0.290387  1
  Nb  Nb23  1  0.967139  0.295410  0.241182  1
  Nb  Nb24  1  0.885876  0.602202  0.262151  1
  Nb  Nb25  1  0.300472  0.962077  0.241182  1
  Nb  Nb26  1  0.219210  0.268869  0.262151  1
  Nb  Nb27  1  0.552543  0.935536  0.262151  1
  Nb  Nb28  1  0.052543  0.435536  0.262151  1
  Nb  Nb29  1  0.385876  0.102202  0.262151  1
  Nb  Nb30  1  0.391763  0.341784  0.290387  1
  Nb  Nb31  1  0.719210  0.768869  0.262151  1
  Nb  Nb32  1  0.725096  1.008450  0.290387  1
  Nb  Nb33  1  0.800472  0.462077  0.241182  1
  Nb  Nb34  1  0.058429  0.675117  0.290387  1
  Nb  Nb35  1  0.133805  0.128743  0.241182  1
  Nb  Nb36  1  0.467139  0.795410  0.241182  1
  Nb  Nb37  1  0.146772  0.333746  0.314883  1
  Nb  Nb38  1  0.480105  1.000412  0.314883  1
  Nb  Nb39  1  0.483868  0.246779  0.341184  1
  Nb  Nb40  1  0.813439  0.667079  0.314883  1
  Nb  Nb41  1  0.817201  0.913446  0.341184  1
  Nb  Nb42  1  0.728428  0.251720  0.366657  1
  Nb  Nb43  1  0.150535  0.580112  0.341184  1
  Nb  Nb44  1  0.061761  0.918386  0.366657  1
  Nb  Nb45  1  0.395094  0.585053  0.366657  1
  Nb  Nb46  1  0.980105  0.500412  0.314883  1
  Nb  Nb47  1  0.313439  0.167079  0.314883  1
  Nb  Nb48  1  0.317201  0.413446  0.341184  1
  Nb  Nb49  1  0.646772  0.833746  0.314883  1
  Nb  Nb50  1  0.650535  0.080112  0.341184  1
  Nb  Nb51  1  0.561761  0.418386  0.366657  1
  Nb  Nb52  1  0.983868  0.746779  0.341184  1
  Nb  Nb53  1  0.895094  0.085053  0.366657  1
  Nb  Nb54  1  0.228428  0.751720  0.366657  1
  Nb  Nb55  1  0.083176  0.397000  0.366659  1
  Nb  Nb56  1  0.416510  0.063667  0.366659  1
  Nb  Nb57  1  0.498537  0.482001  0.314884  1
  Nb  Nb58  1  0.749843  0.730333  0.366659  1
  Nb  Nb59  1  0.831870  0.148667  0.314884  1
  Nb  Nb60  1  0.744904  0.485765  0.341187  1
  Nb  Nb61  1  0.165203  0.815334  0.314884  1
  Nb  Nb62  1  0.078237  0.152432  0.341187  1
  Nb  Nb63  1  0.411571  0.819099  0.341187  1
  Nb  Nb64  1  0.911571  0.319099  0.341187  1
  Nb  Nb65  1  0.244904  0.985765  0.341187  1
  Nb  Nb66  1  0.249843  0.230333  0.366659  1
  Nb  Nb67  1  0.578237  0.652432  0.341187  1
  Nb  Nb68  1  0.583176  0.897000  0.366659  1
  Nb  Nb69  1  0.665203  0.315334  0.314884  1
  Nb  Nb70  1  0.916510  0.563667  0.366659  1
  Nb  Nb71  1  0.998537  0.982001  0.314884  1
  Nb  Nb72  1  0.331870  0.648667  0.314884  1
  Nb  Nb73  1  1.007320  0.221513  0.392309  1
  Nb  Nb74  1  0.340653  0.888179  0.392309  1
  Nb  Nb75  1  0.354582  0.122599  0.417773  1
  Nb  Nb76  1  0.673987  0.554846  0.392309  1
  Nb  Nb77  1  0.687915  0.789266  0.417773  1
  Nb  Nb78  1  0.604503  0.122709  0.443534  1
  Nb  Nb79  1  0.021249  0.455932  0.417773  1
  Nb  Nb80  1  0.937837  0.789375  0.443534  1
  Nb  Nb81  1  0.271170  0.456042  0.443534  1
  Nb  Nb82  1  0.840653  0.388179  0.392309  1
  Nb  Nb83  1  0.173987  0.054846  0.392309  1
  Nb  Nb84  1  0.187915  0.289266  0.417773  1
  Nb  Nb85  1  0.507320  0.721513  0.392309  1
  Nb  Nb86  1  0.521249  0.955932  0.417773  1
  Nb  Nb87  1  0.437837  0.289375  0.443534  1
  Nb  Nb88  1  0.854582  0.622599  0.417773  1
  Nb  Nb89  1  0.771170  0.956042  0.443534  1
  Nb  Nb90  1  0.104503  0.622709  0.443534  1
  Nb  Nb91  1  0.954156  0.273065  0.443537  1
  Nb  Nb92  1  0.287489  0.939731  0.443537  1
  Nb  Nb93  1  0.386291  0.342530  0.392308  1
  Nb  Nb94  1  0.620823  0.606398  0.443537  1
  Nb  Nb95  1  0.719624  1.009197  0.392308  1
  Nb  Nb96  1  0.620719  0.356477  0.417770  1
  Nb  Nb97  1  0.052958  0.675863  0.392308  1
  Nb  Nb98  1  0.954052  0.023143  0.417770  1
  Nb  Nb99  1  0.287386  0.689810  0.417770  1
  Nb  Nb100  1  0.787386  0.189810  0.417770  1
  Nb  Nb101  1  0.120719  0.856477  0.417770  1
  Nb  Nb102  1  0.120823  0.106398  0.443537  1
  Nb  Nb103  1  0.454052  0.523143  0.417770  1
  Nb  Nb104  1  0.454156  0.773065  0.443537  1
  Nb  Nb105  1  0.552958  0.175863  0.392308  1
  Nb  Nb106  1  0.787489  0.439731  0.443537  1
  Nb  Nb107  1  0.886291  0.842530  0.392308  1
  Nb  Nb108  1  0.219624  0.509197  0.392308  1
  Nb  Nb109  1  0.881121  0.094310  0.469019  1
  Nb  Nb110  1  0.214454  0.760976  0.469019  1
  Nb  Nb111  1  0.227434  0.996312  0.494625  1
  Nb  Nb112  1  0.547787  0.427643  0.469019  1
  Nb  Nb113  1  0.560767  0.662978  0.494625  1
  Nb  Nb114  1  0.477301  0.996263  0.520218  1
  Nb  Nb115  1  0.894100  0.329645  0.494625  1
  Nb  Nb116  1  0.810634  0.662929  0.520218  1
  Nb  Nb117  1  0.143968  0.329596  0.520218  1
  Nb  Nb118  1  0.714454  0.260976  0.469019  1
  Nb  Nb119  1  0.047787  0.927643  0.469019  1
  Nb  Nb120  1  0.060767  0.162978  0.494625  1
  Nb  Nb121  1  0.381121  0.594310  0.469019  1
  Nb  Nb122  1  0.394100  0.829645  0.494625  1
  Nb  Nb123  1  0.310634  0.162929  0.520218  1
  Nb  Nb124  1  0.727434  0.496312  0.494625  1
  Nb  Nb125  1  0.643968  0.829596  0.520218  1
  Nb  Nb126  1  0.977301  0.496263  0.520218  1
  Nb  Nb127  1  0.827702  0.145873  0.520220  1
  Nb  Nb128  1  0.161036  0.812540  0.520220  1
  Nb  Nb129  1  0.259078  0.216342  0.469020  1
  Nb  Nb130  1  0.494369  0.479207  0.520220  1
  Nb  Nb131  1  0.592412  0.883009  0.469020  1
  Nb  Nb132  1  0.494427  0.229333  0.494623  1
  Nb  Nb133  1  0.925745  0.549676  0.469020  1
  Nb  Nb134  1  0.827761  0.895999  0.494623  1
  Nb  Nb135  1  0.161094  0.562666  0.494623  1
  Nb  Nb136  1  0.661094  0.062666  0.494623  1
  Nb  Nb137  1  0.994427  0.729333  0.494623  1
  Nb  Nb138  1  0.994369  0.979207  0.520220  1
  Nb  Nb139  1  0.327761  0.395999  0.494623  1
  Nb  Nb140  1  0.327702  0.645873  0.520220  1
  Nb  Nb141  1  0.425745  0.049676  0.469020  1
  Nb  Nb142  1  0.661036  0.312540  0.520220  1
  Nb  Nb143  1  0.759078  0.716342  0.469020  1
  Nb  Nb144  1  0.092412  0.383009  0.469020  1
  Nb  Nb145  1  0.754092  0.967549  0.545940  1
  Nb  Nb146  1  0.087425  0.634216  0.545940  1
  Nb  Nb147  1  0.100916  0.869090  0.571141  1
  Nb  Nb148  1  0.420759  0.300883  0.545940  1
  Nb  Nb149  1  0.434249  0.535757  0.571141  1
  Nb  Nb150  1  0.352010  0.868437  0.597367  1
  Nb  Nb151  1  0.767582  0.202424  0.571141  1
  Nb  Nb152  1  0.685344  0.535104  0.597367  1
  Nb  Nb153  1  0.018677  0.201770  0.597367  1
  Nb  Nb154  1  0.587425  0.134216  0.545940  1
  Nb  Nb155  1  0.920759  0.800883  0.545940  1
  Nb  Nb156  1  0.934249  0.035757  0.571141  1
  Nb  Nb157  1  0.254092  0.467549  0.545940  1
  Nb  Nb158  1  0.267582  0.702424  0.571141  1
  Nb  Nb159  1  0.185344  0.035104  0.597367  1
  Nb  Nb160  1  0.600916  0.369090  0.571141  1
  Nb  Nb161  1  0.518677  0.701770  0.597367  1
  Nb  Nb162  1  0.852010  0.368437  0.597367  1
  Nb  Nb163  1  0.699871  0.020585  0.597369  1
  Nb  Nb164  1  0.033205  0.687252  0.597369  1
  Nb  Nb165  1  0.132312  0.089317  0.545939  1
  Nb  Nb166  1  0.366538  0.353919  0.597369  1
  Nb  Nb167  1  0.465646  0.755983  0.545939  1
  Nb  Nb168  1  0.367199  0.102818  0.571139  1
  Nb  Nb169  1  0.798979  0.422650  0.545939  1
  Nb  Nb170  1  0.700532  0.769484  0.571139  1
  Nb  Nb171  1  0.033865  0.436151  0.571139  1
  Nb  Nb172  1  0.533865  0.936151  0.571139  1
  Nb  Nb173  1  0.867199  0.602818  0.571139  1
  Nb  Nb174  1  0.866538  0.853919  0.597369  1
  Nb  Nb175  1  0.200532  0.269484  0.571139  1
  Nb  Nb176  1  0.199871  0.520585  0.597369  1
  Nb  Nb177  1  0.298979  0.922650  0.545939  1
  Nb  Nb178  1  0.533205  0.187252  0.597369  1
  Nb  Nb179  1  0.632312  0.589317  0.545939  1
  Nb  Nb180  1  0.965646  0.255983  0.545939  1
  Nb  Nb181  1  0.623774  0.843521  0.621839  1
  Nb  Nb182  1  0.957107  0.510188  0.621839  1
  Nb  Nb183  1  0.962125  0.750540  0.650059  1
  Nb  Nb184  1  0.290441  0.176854  0.621839  1
  Nb  Nb185  1  0.295458  0.417207  0.650059  1
  Nb  Nb186  1  0.214415  0.723915  0.671016  1
  Nb  Nb187  1  0.628791  0.083874  0.650059  1
  Nb  Nb188  1  0.547749  0.390582  0.671016  1
  Nb  Nb189  1  0.881082  0.057249  0.671016  1
  Nb  Nb190  1  0.457107  1.010188  0.621839  1
  Nb  Nb191  1  0.790441  0.676854  0.621839  1
  Nb  Nb192  1  0.795458  0.917207  0.650059  1
  Nb  Nb193  1  0.123774  0.343521  0.621839  1
  Nb  Nb194  1  0.128791  0.583874  0.650059  1
  Nb  Nb195  1  0.047749  0.890582  0.671016  1
  Nb  Nb196  1  0.462125  0.250540  0.650059  1
  Nb  Nb197  1  0.381082  0.557249  0.671016  1
  Nb  Nb198  1  0.714415  0.223915  0.671016  1
  Nb  Nb199  1  0.555330  0.882981  0.671015  1
  Nb  Nb200  1  0.888664  0.549647  0.671015  1
  Nb  Nb201  1  1.008273  0.958991  0.621841  1
  Nb  Nb202  1  0.221997  0.216314  0.671015  1
  Nb  Nb203  1  0.341606  0.625658  0.621841  1
  Nb  Nb204  1  0.248671  0.964007  0.650056  1
  Nb  Nb205  1  0.674940  0.292324  0.621841  1
  Nb  Nb206  1  0.582005  0.630674  0.650056  1
  Nb  Nb207  1  0.915338  0.297341  0.650056  1
  Nb  Nb208  1  0.415338  0.797341  0.650056  1
  Nb  Nb209  1  0.748671  0.464007  0.650056  1
  Nb  Nb210  1  0.721997  0.716314  0.671015  1
  Nb  Nb211  1  0.082005  0.130674  0.650056  1
  Nb  Nb212  1  0.055330  0.382981  0.671015  1
  Nb  Nb213  1  0.174940  0.792324  0.621841  1
  Nb  Nb214  1  0.388664  0.049647  0.671015  1
  Nb  Nb215  1  0.508273  0.458991  0.621841  1
  Nb  Nb216  1  0.841606  0.125658  0.621841  1
