# generated using pymatgen
data_Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.38637149
_cell_length_b   18.37362203
_cell_length_c   49.28565400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al
_chemical_formula_sum   'Nb252 Al84'
_cell_volume   11983.7085704
_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  0.954692  0.429174  0.297212  1
  Nb  Nb2  1  0.454692  0.429174  0.297212  1
  Nb  Nb3  1  0.022204  0.794354  0.279831  1
  Nb  Nb4  1  0.881907  0.065461  0.319154  1
  Nb  Nb5  1  0.522204  0.794354  0.279831  1
  Nb  Nb6  1  0.381907  0.065461  0.319154  1
  Nb  Nb7  1  0.599619  0.381751  0.330497  1
  Nb  Nb8  1  0.099619  0.381751  0.330497  1
  Nb  Nb9  1  0.669158  0.748128  0.308007  1
  Nb  Nb10  1  0.736574  0.106928  0.289446  1
  Nb  Nb11  1  0.169158  0.748128  0.308007  1
  Nb  Nb12  1  0.236574  0.106928  0.289446  1
  Nb  Nb13  1  0.598976  0.510477  0.291995  1
  Nb  Nb14  1  0.098976  0.510477  0.291995  1
  Nb  Nb15  1  0.667255  0.879904  0.275491  1
  Nb  Nb16  1  0.533239  0.151214  0.314892  1
  Nb  Nb17  1  0.167255  0.879904  0.275491  1
  Nb  Nb18  1  0.033239  0.151214  0.314892  1
  Nb  Nb19  1  0.668876  0.379908  0.275503  1
  Nb  Nb20  1  0.168876  0.379908  0.275503  1
  Nb  Nb21  1  0.531688  0.651186  0.314894  1
  Nb  Nb22  1  0.606691  0.010427  0.291995  1
  Nb  Nb23  1  0.031688  0.651186  0.314894  1
  Nb  Nb24  1  0.106691  0.010427  0.291995  1
  Nb  Nb25  1  0.899507  0.294334  0.279842  1
  Nb  Nb26  1  0.399507  0.294334  0.279842  1
  Nb  Nb27  1  0.768781  0.565438  0.319156  1
  Nb  Nb28  1  0.832210  0.929141  0.297213  1
  Nb  Nb29  1  0.268781  0.565438  0.319156  1
  Nb  Nb30  1  0.332210  0.929141  0.297213  1
  Nb  Nb31  1  0.798842  0.248153  0.308001  1
  Nb  Nb32  1  0.298842  0.248153  0.308001  1
  Nb  Nb33  1  0.872607  0.606944  0.289451  1
  Nb  Nb34  1  0.734734  0.881740  0.330495  1
  Nb  Nb35  1  0.372607  0.606944  0.289451  1
  Nb  Nb36  1  0.234734  0.881740  0.330495  1
  Nb  Nb37  1  0.751478  0.336639  0.364743  1
  Nb  Nb38  1  0.251478  0.336639  0.364743  1
  Nb  Nb39  1  0.821267  0.699411  0.342292  1
  Nb  Nb40  1  0.683108  0.972154  0.387207  1
  Nb  Nb41  1  0.321267  0.699411  0.342292  1
  Nb  Nb42  1  0.183108  0.972154  0.387207  1
  Nb  Nb43  1  0.399057  0.291229  0.397912  1
  Nb  Nb44  1  0.899057  0.291229  0.397912  1
  Nb  Nb45  1  0.468771  0.654756  0.376021  1
  Nb  Nb46  1  0.534998  0.019163  0.353238  1
  Nb  Nb47  1  0.968771  0.654756  0.376021  1
  Nb  Nb48  1  0.034998  0.019163  0.353238  1
  Nb  Nb49  1  0.394689  0.427579  0.359426  1
  Nb  Nb50  1  0.894689  0.427579  0.359426  1
  Nb  Nb51  1  0.463501  0.789682  0.336203  1
  Nb  Nb52  1  0.326544  0.063551  0.381488  1
  Nb  Nb53  1  0.963501  0.789682  0.336203  1
  Nb  Nb54  1  0.826544  0.063551  0.381488  1
  Nb  Nb55  1  0.462926  0.289680  0.336202  1
  Nb  Nb56  1  0.962926  0.289680  0.336202  1
  Nb  Nb57  1  0.326034  0.563546  0.381491  1
  Nb  Nb58  1  0.393850  0.927570  0.359426  1
  Nb  Nb59  1  0.826034  0.563546  0.381491  1
  Nb  Nb60  1  0.893850  0.927570  0.359426  1
  Nb  Nb61  1  0.695446  0.199403  0.342293  1
  Nb  Nb62  1  0.195446  0.199403  0.342293  1
  Nb  Nb63  1  0.560856  0.472146  0.387211  1
  Nb  Nb64  1  0.627992  0.836624  0.364745  1
  Nb  Nb65  1  0.060856  0.472146  0.387211  1
  Nb  Nb66  1  0.127992  0.836624  0.364745  1
  Nb  Nb67  1  0.592593  0.154758  0.376022  1
  Nb  Nb68  1  0.092593  0.154758  0.376022  1
  Nb  Nb69  1  0.661951  0.519169  0.353241  1
  Nb  Nb70  1  0.525842  0.791231  0.397910  1
  Nb  Nb71  1  0.161951  0.519169  0.353241  1
  Nb  Nb72  1  0.025842  0.791231  0.397910  1
  Nb  Nb73  1  0.547587  0.245612  0.431797  1
  Nb  Nb74  1  0.047587  0.245612  0.431797  1
  Nb  Nb75  1  0.616040  0.609383  0.409239  1
  Nb  Nb76  1  0.479595  0.881742  0.454131  1
  Nb  Nb77  1  0.116040  0.609383  0.409239  1
  Nb  Nb78  1  0.979595  0.881742  0.454131  1
  Nb  Nb79  1  0.195460  0.199949  0.465298  1
  Nb  Nb80  1  0.695460  0.199949  0.465298  1
  Nb  Nb81  1  0.263921  0.563576  0.443074  1
  Nb  Nb82  1  0.331633  0.927227  0.420592  1
  Nb  Nb83  1  0.763921  0.563576  0.443074  1
  Nb  Nb84  1  0.831633  0.927227  0.420592  1
  Nb  Nb85  1  0.189862  0.336200  0.426254  1
  Nb  Nb86  1  0.689862  0.336200  0.426254  1
  Nb  Nb87  1  0.258221  0.699941  0.403761  1
  Nb  Nb88  1  0.121455  0.972810  0.448672  1
  Nb  Nb89  1  0.758221  0.699941  0.403761  1
  Nb  Nb90  1  0.621455  0.972810  0.448672  1
  Nb  Nb91  1  0.257968  0.199934  0.403762  1
  Nb  Nb92  1  0.757968  0.199934  0.403762  1
  Nb  Nb93  1  0.121871  0.472798  0.448675  1
  Nb  Nb94  1  0.190072  0.836195  0.426255  1
  Nb  Nb95  1  0.621871  0.472798  0.448675  1
  Nb  Nb96  1  0.690072  0.836195  0.426255  1
  Nb  Nb97  1  0.490708  0.109379  0.409236  1
  Nb  Nb98  1  0.990708  0.109379  0.409236  1
  Nb  Nb99  1  0.354791  0.381735  0.454134  1
  Nb  Nb100  1  0.422923  0.745607  0.431799  1
  Nb  Nb101  1  0.854791  0.381735  0.454134  1
  Nb  Nb102  1  0.922923  0.745607  0.431799  1
  Nb  Nb103  1  0.388630  0.063583  0.443073  1
  Nb  Nb104  1  0.888630  0.063583  0.443073  1
  Nb  Nb105  1  0.457264  0.427231  0.420594  1
  Nb  Nb106  1  0.320724  0.699954  0.465299  1
  Nb  Nb107  1  0.957264  0.427231  0.420594  1
  Nb  Nb108  1  0.820724  0.699954  0.465299  1
  Nb  Nb109  1  0.343374  0.154550  0.498855  1
  Nb  Nb110  1  0.843374  0.154550  0.498855  1
  Nb  Nb111  1  0.411514  0.518115  0.476532  1
  Nb  Nb112  1  0.275048  0.790898  0.521282  1
  Nb  Nb113  1  0.911514  0.518115  0.476532  1
  Nb  Nb114  1  0.775048  0.790898  0.521282  1
  Nb  Nb115  1  0.991330  0.108814  0.532501  1
  Nb  Nb116  1  0.491330  0.108814  0.532501  1
  Nb  Nb117  1  0.059338  0.472525  0.510145  1
  Nb  Nb118  1  0.127307  0.836161  0.487743  1
  Nb  Nb119  1  0.559338  0.472525  0.510145  1
  Nb  Nb120  1  0.627307  0.836161  0.487743  1
  Nb  Nb121  1  0.985298  0.245376  0.493307  1
  Nb  Nb122  1  0.485298  0.245376  0.493307  1
  Nb  Nb123  1  0.053607  0.609036  0.470892  1
  Nb  Nb124  1  0.917140  0.881634  0.515730  1
  Nb  Nb125  1  0.553607  0.609036  0.470892  1
  Nb  Nb126  1  0.417140  0.881634  0.515730  1
  Nb  Nb127  1  0.053494  0.109028  0.470892  1
  Nb  Nb128  1  0.553494  0.109028  0.470892  1
  Nb  Nb129  1  0.917369  0.381620  0.515733  1
  Nb  Nb130  1  0.985464  0.745369  0.493306  1
  Nb  Nb131  1  0.417369  0.381620  0.515733  1
  Nb  Nb132  1  0.485464  0.745369  0.493306  1
  Nb  Nb133  1  0.286502  0.018115  0.476530  1
  Nb  Nb134  1  0.786502  0.018115  0.476530  1
  Nb  Nb135  1  0.150191  0.290895  0.521284  1
  Nb  Nb136  1  0.218211  0.654544  0.498854  1
  Nb  Nb137  1  0.650191  0.290895  0.521284  1
  Nb  Nb138  1  0.718211  0.654544  0.498854  1
  Nb  Nb139  1  0.184272  0.972533  0.510144  1
  Nb  Nb140  1  0.684272  0.972533  0.510144  1
  Nb  Nb141  1  0.252668  0.336162  0.487745  1
  Nb  Nb142  1  0.115996  0.608816  0.532501  1
  Nb  Nb143  1  0.752668  0.336162  0.487745  1
  Nb  Nb144  1  0.615996  0.608816  0.532501  1
  Nb  Nb145  1  0.139091  0.063624  0.565876  1
  Nb  Nb146  1  0.639091  0.063624  0.565876  1
  Nb  Nb147  1  0.207236  0.427005  0.543738  1
  Nb  Nb148  1  0.070127  0.699463  0.588561  1
  Nb  Nb149  1  0.707236  0.427005  0.543738  1
  Nb  Nb150  1  0.570127  0.699463  0.588561  1
  Nb  Nb151  1  0.787614  0.017607  0.599811  1
  Nb  Nb152  1  0.287614  0.017607  0.599811  1
  Nb  Nb153  1  0.855266  0.381154  0.577282  1
  Nb  Nb154  1  0.922575  0.745349  0.554854  1
  Nb  Nb155  1  0.355266  0.381154  0.577282  1
  Nb  Nb156  1  0.422575  0.745349  0.554854  1
  Nb  Nb157  1  0.781096  0.154207  0.560342  1
  Nb  Nb158  1  0.281096  0.154207  0.560342  1
  Nb  Nb159  1  0.848932  0.517984  0.538100  1
  Nb  Nb160  1  0.712348  0.790894  0.582759  1
  Nb  Nb161  1  0.348932  0.517984  0.538100  1
  Nb  Nb162  1  0.212348  0.790894  0.582759  1
  Nb  Nb163  1  0.849224  0.017980  0.538100  1
  Nb  Nb164  1  0.349224  0.017980  0.538100  1
  Nb  Nb165  1  0.712913  0.290888  0.582768  1
  Nb  Nb166  1  0.780840  0.654194  0.560342  1
  Nb  Nb167  1  0.212913  0.290888  0.582768  1
  Nb  Nb168  1  0.280840  0.654194  0.560342  1
  Nb  Nb169  1  0.081897  0.927005  0.543736  1
  Nb  Nb170  1  0.581897  0.927005  0.543736  1
  Nb  Nb171  1  0.946554  0.199463  0.588564  1
  Nb  Nb172  1  0.013432  0.563614  0.565873  1
  Nb  Nb173  1  0.446554  0.199463  0.588564  1
  Nb  Nb174  1  0.513432  0.563614  0.565873  1
  Nb  Nb175  1  0.979731  0.881161  0.577279  1
  Nb  Nb176  1  0.479731  0.881161  0.577279  1
  Nb  Nb177  1  0.048229  0.245352  0.554858  1
  Nb  Nb178  1  0.910930  0.517605  0.599814  1
  Nb  Nb179  1  0.548229  0.245352  0.554858  1
  Nb  Nb180  1  0.410930  0.517605  0.599814  1
  Nb  Nb181  1  0.934355  0.971755  0.633110  1
  Nb  Nb182  1  0.434355  0.971755  0.633110  1
  Nb  Nb183  1  0.004118  0.336042  0.610953  1
  Nb  Nb184  1  0.865392  0.609488  0.655229  1
  Nb  Nb185  1  0.504118  0.336042  0.610953  1
  Nb  Nb186  1  0.365392  0.609488  0.655229  1
  Nb  Nb187  1  0.583173  0.927042  0.666553  1
  Nb  Nb188  1  0.083173  0.927042  0.666553  1
  Nb  Nb189  1  0.652174  0.291621  0.645072  1
  Nb  Nb190  1  0.717795  0.655383  0.621505  1
  Nb  Nb191  1  0.152174  0.291621  0.645072  1
  Nb  Nb192  1  0.217795  0.655383  0.621505  1
  Nb  Nb193  1  0.579680  0.062649  0.627294  1
  Nb  Nb194  1  0.079680  0.062649  0.627294  1
  Nb  Nb195  1  0.644211  0.427149  0.605412  1
  Nb  Nb196  1  0.505218  0.699812  0.650041  1
  Nb  Nb197  1  0.144211  0.427149  0.605412  1
  Nb  Nb198  1  0.005218  0.699812  0.650041  1
  Nb  Nb199  1  0.644792  0.927147  0.605409  1
  Nb  Nb200  1  0.144792  0.927147  0.605409  1
  Nb  Nb201  1  0.511120  0.199790  0.650043  1
  Nb  Nb202  1  0.573814  0.562650  0.627295  1
  Nb  Nb203  1  0.011120  0.199790  0.650043  1
  Nb  Nb204  1  0.073814  0.562650  0.627295  1
  Nb  Nb205  1  0.875997  0.836038  0.610948  1
  Nb  Nb206  1  0.375997  0.836038  0.610948  1
  Nb  Nb207  1  0.741285  0.109457  0.655231  1
  Nb  Nb208  1  0.810053  0.471754  0.633111  1
  Nb  Nb209  1  0.241285  0.109457  0.655231  1
  Nb  Nb210  1  0.310053  0.471754  0.633111  1
  Nb  Nb211  1  0.772361  0.791634  0.645058  1
  Nb  Nb212  1  0.272361  0.791634  0.645058  1
  Nb  Nb213  1  0.842972  0.155395  0.621502  1
  Nb  Nb214  1  0.705941  0.427070  0.666546  1
  Nb  Nb215  1  0.342972  0.155395  0.621502  1
  Nb  Nb216  1  0.205941  0.427070  0.666546  1
  Nb  Nb217  1  0.736001  0.882666  0.701566  1
  Nb  Nb218  1  0.236001  0.882666  0.701566  1
  Nb  Nb219  1  0.803953  0.245000  0.678695  1
  Nb  Nb220  1  0.664773  0.521167  0.718229  1
  Nb  Nb221  1  0.303953  0.245000  0.678695  1
  Nb  Nb222  1  0.164773  0.521167  0.718229  1
  Nb  Nb223  1  0.396497  0.833366  0.723568  1
  Nb  Nb224  1  0.896497  0.833366  0.723568  1
  Nb  Nb225  1  0.450265  0.196412  0.710003  1
  Nb  Nb226  1  0.516177  0.561211  0.690859  1
  Nb  Nb227  1  0.950265  0.196412  0.710003  1
  Nb  Nb228  1  0.016177  0.561211  0.690859  1
  Nb  Nb229  1  0.368352  0.979902  0.695860  1
  Nb  Nb230  1  0.868352  0.979902  0.695860  1
  Nb  Nb231  1  0.438898  0.336498  0.671768  1
  Nb  Nb232  1  0.289467  0.613321  0.712919  1
  Nb  Nb233  1  0.938898  0.336498  0.671768  1
  Nb  Nb234  1  0.789467  0.613321  0.712919  1
  Nb  Nb235  1  0.440799  0.836509  0.671751  1
  Nb  Nb236  1  0.940799  0.836509  0.671751  1
  Nb  Nb237  1  0.313459  0.113213  0.712935  1
  Nb  Nb238  1  0.367789  0.479941  0.695850  1
  Nb  Nb239  1  0.813459  0.113213  0.712935  1
  Nb  Nb240  1  0.867789  0.479941  0.695850  1
  Nb  Nb241  1  0.667115  0.745003  0.678709  1
  Nb  Nb242  1  0.167115  0.745003  0.678709  1
  Nb  Nb243  1  0.530183  0.021183  0.718225  1
  Nb  Nb244  1  0.597445  0.382659  0.701590  1
  Nb  Nb245  1  0.030183  0.021183  0.718225  1
  Nb  Nb246  1  0.097445  0.382659  0.701590  1
  Nb  Nb247  1  0.569473  0.696400  0.710025  1
  Nb  Nb248  1  0.069473  0.696400  0.710025  1
  Nb  Nb249  1  0.638732  0.061213  0.690860  1
  Nb  Nb250  1  0.486405  0.333503  0.723616  1
  Nb  Nb251  1  0.138732  0.061213  0.690860  1
  Nb  Nb252  1  0.986405  0.333503  0.723616  1
  Al  Al253  1  0.600405  0.265482  0.293526  1
  Al  Al254  1  0.100405  0.265482  0.293526  1
  Al  Al255  1  0.664125  0.632736  0.277253  1
  Al  Al256  1  0.525416  0.908829  0.316798  1
  Al  Al257  1  0.164125  0.632736  0.277253  1
  Al  Al258  1  0.025416  0.908829  0.316798  1
  Al  Al259  1  0.781840  0.408828  0.316799  1
  Al  Al260  1  0.281840  0.408828  0.316799  1
  Al  Al261  1  0.850234  0.765474  0.293520  1
  Al  Al262  1  0.919256  0.132790  0.277255  1
  Al  Al263  1  0.350234  0.765474  0.293520  1
  Al  Al264  1  0.419256  0.132790  0.277255  1
  Al  Al265  1  0.393053  0.177745  0.358522  1
  Al  Al266  1  0.893053  0.177745  0.358522  1
  Al  Al267  1  0.465882  0.538638  0.338133  1
  Al  Al268  1  0.326934  0.813311  0.381501  1
  Al  Al269  1  0.965882  0.538638  0.338133  1
  Al  Al270  1  0.826934  0.813311  0.381501  1
  Al  Al271  1  0.575878  0.313308  0.381502  1
  Al  Al272  1  0.075878  0.313308  0.381502  1
  Al  Al273  1  0.645335  0.677733  0.358521  1
  Al  Al274  1  0.711603  0.038639  0.338132  1
  Al  Al275  1  0.145335  0.677733  0.358521  1
  Al  Al276  1  0.211603  0.038639  0.338132  1
  Al  Al277  1  0.189941  0.086186  0.426172  1
  Al  Al278  1  0.689941  0.086186  0.426172  1
  Al  Al279  1  0.257957  0.450276  0.404071  1
  Al  Al280  1  0.121638  0.722673  0.448430  1
  Al  Al281  1  0.757957  0.450276  0.404071  1
  Al  Al282  1  0.621638  0.722673  0.448430  1
  Al  Al283  1  0.371822  0.222670  0.448431  1
  Al  Al284  1  0.871822  0.222670  0.448431  1
  Al  Al285  1  0.440004  0.586186  0.426173  1
  Al  Al286  1  0.507891  0.950279  0.404070  1
  Al  Al287  1  0.940004  0.586186  0.426173  1
  Al  Al288  1  0.007891  0.950279  0.404070  1
  Al  Al289  1  0.985381  0.995287  0.493402  1
  Al  Al290  1  0.485381  0.995287  0.493402  1
  Al  Al291  1  0.053590  0.359098  0.470978  1
  Al  Al292  1  0.917105  0.631784  0.515566  1
  Al  Al293  1  0.553590  0.359098  0.470978  1
  Al  Al294  1  0.417105  0.631784  0.515566  1
  Al  Al295  1  0.167246  0.131785  0.515567  1
  Al  Al296  1  0.667246  0.131785  0.515567  1
  Al  Al297  1  0.235467  0.495285  0.493404  1
  Al  Al298  1  0.303442  0.859103  0.470978  1
  Al  Al299  1  0.735467  0.495285  0.493404  1
  Al  Al300  1  0.803442  0.859103  0.470978  1
  Al  Al301  1  0.780681  0.904715  0.560539  1
  Al  Al302  1  0.280681  0.904715  0.560539  1
  Al  Al303  1  0.849371  0.267730  0.538134  1
  Al  Al304  1  0.712465  0.540399  0.582842  1
  Al  Al305  1  0.349371  0.267730  0.538134  1
  Al  Al306  1  0.212465  0.540399  0.582842  1
  Al  Al307  1  0.963274  0.040404  0.582841  1
  Al  Al308  1  0.463274  0.040404  0.582841  1
  Al  Al309  1  0.030747  0.404713  0.560541  1
  Al  Al310  1  0.099038  0.767732  0.538130  1
  Al  Al311  1  0.530747  0.404713  0.560541  1
  Al  Al312  1  0.599038  0.767732  0.538130  1
  Al  Al313  1  0.576626  0.813032  0.627413  1
  Al  Al314  1  0.076626  0.813032  0.627413  1
  Al  Al315  1  0.645009  0.177424  0.605176  1
  Al  Al316  1  0.507023  0.449785  0.651212  1
  Al  Al317  1  0.145009  0.177424  0.605176  1
  Al  Al318  1  0.007023  0.449785  0.651212  1
  Al  Al319  1  0.759336  0.949790  0.651202  1
  Al  Al320  1  0.259336  0.949790  0.651202  1
  Al  Al321  1  0.826544  0.313067  0.627428  1
  Al  Al322  1  0.893710  0.677431  0.605162  1
  Al  Al323  1  0.326544  0.313067  0.627428  1
  Al  Al324  1  0.393710  0.677431  0.605162  1
  Al  Al325  1  0.369631  0.721165  0.692961  1
  Al  Al326  1  0.869631  0.721165  0.692961  1
  Al  Al327  1  0.442546  0.086929  0.668638  1
  Al  Al328  1  0.294006  0.359619  0.713460  1
  Al  Al329  1  0.942546  0.086929  0.668638  1
  Al  Al330  1  0.794006  0.359619  0.713460  1
  Al  Al331  1  0.562594  0.859613  0.713477  1
  Al  Al332  1  0.062594  0.859613  0.713477  1
  Al  Al333  1  0.625428  0.221067  0.692978  1
  Al  Al334  1  0.686642  0.586952  0.668639  1
  Al  Al335  1  0.125428  0.221067  0.692978  1
  Al  Al336  1  0.186642  0.586952  0.668639  1
