# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.58740070
_cell_length_b   11.37874353
_cell_length_c   50.72814546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.70303751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11974.9379859
_cell_formula_units_Z   300
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
  Ta  Ta1  1  0.318781  0.421087  0.318944  1
  Ta  Ta2  1  0.844741  0.791295  0.277856  1
  Ta  Ta3  1  0.558397  0.731115  0.341844  1
  Ta  Ta4  1  0.078876  0.115248  0.295497  1
  Ta  Ta5  1  0.446706  0.375850  0.324940  1
  Ta  Ta6  1  0.971725  0.733641  0.279907  1
  Ta  Ta7  1  0.617545  0.264977  0.281130  1
  Ta  Ta8  1  0.098015  0.894825  0.323107  1
  Ta  Ta9  1  0.540565  0.946181  0.311171  1
  Ta  Ta10  1  0.013692  0.579871  0.359468  1
  Ta  Ta11  1  0.664683  0.093029  0.357625  1
  Ta  Ta12  1  0.190476  0.461011  0.309242  1
  Ta  Ta13  1  0.679453  0.579953  0.358735  1
  Ta  Ta14  1  0.204502  0.953642  0.312391  1
  Ta  Ta15  1  0.435085  0.880728  0.325906  1
  Ta  Ta16  1  0.956945  0.251444  0.279560  1
  Ta  Ta17  1  0.802810  0.613503  0.294193  1
  Ta  Ta18  1  0.273619  0.246242  0.339345  1
  Ta  Ta19  1  0.363365  0.594510  0.297902  1
  Ta  Ta20  1  0.836986  0.218106  0.344026  1
  Ta  Ta21  1  0.579064  0.315143  0.331725  1
  Ta  Ta22  1  0.099228  0.704765  0.290745  1
  Ta  Ta23  1  0.639439  0.033620  0.306756  1
  Ta  Ta24  1  0.118044  0.654790  0.349004  1
  Ta  Ta25  1  0.514102  0.188788  0.289779  1
  Ta  Ta26  1  0.995555  0.808450  0.331384  1
  Ta  Ta27  1  0.531076  0.144021  0.350809  1
  Ta  Ta28  1  0.057129  0.517985  0.306963  1
  Ta  Ta29  1  0.328491  0.805491  0.333197  1
  Ta  Ta30  1  0.855285  0.191354  0.291147  1
  Ta  Ta31  1  0.783100  0.653350  0.349592  1
  Ta  Ta32  1  0.311640  0.025971  0.305946  1
  Ta  Ta33  1  0.753993  0.435539  0.316418  1
  Ta  Ta34  1  0.229262  0.064605  0.360302  1
  Ta  Ta35  1  0.404739  0.775264  0.281692  1
  Ta  Ta36  1  0.883299  0.396021  0.321975  1
  Ta  Ta37  1  0.346266  0.580958  0.359039  1
  Ta  Ta38  1  0.872177  0.955860  0.314058  1
  Ta  Ta39  1  0.622624  0.487536  0.310775  1
  Ta  Ta40  1  0.100013  0.116456  0.353641  1
  Ta  Ta41  1  0.533412  0.720280  0.287901  1
  Ta  Ta42  1  0.014062  0.341013  0.327037  1
  Ta  Ta43  1  0.765127  0.875514  0.323071  1
  Ta  Ta44  1  0.298901  0.249369  0.285386  1
  Ta  Ta45  1  0.503072  0.471213  0.281655  1
  Ta  Ta46  1  0.971780  0.101814  0.325663  1
  Ta  Ta47  1  0.729723  0.177392  0.312094  1
  Ta  Ta48  1  0.204456  0.809681  0.359917  1
  Ta  Ta49  1  0.411566  0.145430  0.319834  1
  Ta  Ta50  1  0.939415  0.506132  0.277636  1
  Ta  Ta51  1  0.640930  0.859616  0.353510  1
  Ta  Ta52  1  0.169726  0.222171  0.307495  1
  Ta  Ta53  1  0.703363  0.307685  0.359894  1
  Ta  Ta54  1  0.229152  0.674793  0.314344  1
  Ta  Ta55  1  0.669464  0.719472  0.307848  1
  Ta  Ta56  1  0.139727  0.360093  0.353087  1
  Ta  Ta57  1  0.471797  0.601019  0.326455  1
  Ta  Ta58  1  0.991952  0.961453  0.282225  1
  Ta  Ta59  1  0.432422  0.997380  0.276845  1
  Ta  Ta60  1  0.909463  0.646797  0.320520  1
  Ta  Ta61  1  0.267826  0.670789  0.408980  1
  Ta  Ta62  1  0.793359  0.041100  0.362497  1
  Ta  Ta63  1  0.505414  0.984832  0.432383  1
  Ta  Ta64  1  0.031594  0.356648  0.386055  1
  Ta  Ta65  1  0.396338  0.622579  0.416136  1
  Ta  Ta66  1  0.922254  0.994547  0.369952  1
  Ta  Ta67  1  0.573959  0.508980  0.368625  1
  Ta  Ta68  1  0.048743  0.136773  0.413772  1
  Ta  Ta69  1  0.487812  0.205332  0.404944  1
  Ta  Ta70  1  0.962247  0.833854  0.450544  1
  Ta  Ta71  1  0.613728  0.347794  0.448941  1
  Ta  Ta72  1  0.139361  0.719648  0.402515  1
  Ta  Ta73  1  0.627609  0.837187  0.450302  1
  Ta  Ta74  1  0.153420  0.209163  0.403972  1
  Ta  Ta75  1  0.382941  0.133852  0.414773  1
  Ta  Ta76  1  0.908944  0.505611  0.369075  1
  Ta  Ta77  1  0.748782  0.870150  0.384694  1
  Ta  Ta78  1  0.223061  0.499221  0.430494  1
  Ta  Ta79  1  0.312450  0.844914  0.388754  1
  Ta  Ta80  1  0.787094  0.471777  0.434136  1
  Ta  Ta81  1  0.529350  0.569772  0.422291  1
  Ta  Ta82  1  0.054891  0.943439  0.376270  1
  Ta  Ta83  1  0.591426  0.280361  0.396050  1
  Ta  Ta84  1  0.066313  0.908386  0.441306  1
  Ta  Ta85  1  0.469563  0.434433  0.377925  1
  Ta  Ta86  1  0.944606  0.061775  0.422982  1
  Ta  Ta87  1  0.481058  0.400180  0.442787  1
  Ta  Ta88  1  0.007001  0.773159  0.396745  1
  Ta  Ta89  1  0.278054  0.060584  0.423340  1
  Ta  Ta90  1  0.804079  0.432685  0.378088  1
  Ta  Ta91  1  0.731907  0.910696  0.441327  1
  Ta  Ta92  1  0.257214  0.283779  0.395675  1
  Ta  Ta93  1  0.703694  0.692617  0.406536  1
  Ta  Ta94  1  0.177964  0.320517  0.452210  1
  Ta  Ta95  1  0.357085  0.025383  0.367578  1
  Ta  Ta96  1  0.832334  0.650181  0.412298  1
  Ta  Ta97  1  0.295340  0.836964  0.450613  1
  Ta  Ta98  1  0.821025  0.208127  0.404763  1
  Ta  Ta99  1  0.574020  0.743890  0.400525  1
  Ta  Ta100  1  0.048191  0.372018  0.445829  1
  Ta  Ta101  1  0.488570  0.969685  0.372846  1
  Ta  Ta102  1  0.962767  0.597987  0.418315  1
  Ta  Ta103  1  0.715104  0.132439  0.413640  1
  Ta  Ta104  1  0.240093  0.504840  0.367479  1
  Ta  Ta105  1  0.447551  0.723732  0.373004  1
  Ta  Ta106  1  0.921962  0.353236  0.417949  1
  Ta  Ta107  1  0.678654  0.436152  0.406556  1
  Ta  Ta108  1  0.152609  0.066366  0.452446  1
  Ta  Ta109  1  0.358044  0.403062  0.411580  1
  Ta  Ta110  1  0.883859  0.775389  0.366013  1
  Ta  Ta111  1  0.589093  0.115878  0.446418  1
  Ta  Ta112  1  0.115229  0.487208  0.400043  1
  Ta  Ta113  1  0.652272  0.566493  0.452642  1
  Ta  Ta114  1  0.177671  0.938503  0.406400  1
  Ta  Ta115  1  0.614442  0.986361  0.400275  1
  Ta  Ta116  1  0.088847  0.615895  0.446079  1
  Ta  Ta117  1  0.421791  0.853913  0.418210  1
  Ta  Ta118  1  0.948261  0.224397  0.372191  1
  Ta  Ta119  1  0.384078  0.274708  0.365818  1
  Ta  Ta120  1  0.857952  0.903718  0.411684  1
  Ta  Ta121  1  0.216797  0.926840  0.500912  1
  Ta  Ta122  1  0.742542  0.298543  0.455025  1
  Ta  Ta123  1  0.453950  0.240822  0.523853  1
  Ta  Ta124  1  0.979802  0.612850  0.477868  1
  Ta  Ta125  1  0.345414  0.878182  0.507387  1
  Ta  Ta126  1  0.871310  0.249924  0.461374  1
  Ta  Ta127  1  0.522849  0.764228  0.459820  1
  Ta  Ta128  1  0.997283  0.392056  0.505254  1
  Ta  Ta129  1  0.436374  0.461827  0.496531  1
  Ta  Ta130  1  0.910945  0.089579  0.542025  1
  Ta  Ta131  1  0.562487  0.604263  0.540393  1
  Ta  Ta132  1  0.088219  0.975460  0.494435  1
  Ta  Ta133  1  0.576232  0.093483  0.541853  1
  Ta  Ta134  1  0.101926  0.465099  0.495866  1
  Ta  Ta135  1  0.331725  0.388527  0.505901  1
  Ta  Ta136  1  0.857516  0.760735  0.460002  1
  Ta  Ta137  1  0.697742  0.126489  0.476340  1
  Ta  Ta138  1  0.172175  0.754097  0.522059  1
  Ta  Ta139  1  0.261464  0.099473  0.479763  1
  Ta  Ta140  1  0.736031  0.727747  0.525515  1
  Ta  Ta141  1  0.478006  0.825798  0.513580  1
  Ta  Ta142  1  0.003971  0.197495  0.467582  1
  Ta  Ta143  1  0.540394  0.536483  0.487407  1
  Ta  Ta144  1  0.015008  0.164047  0.532816  1
  Ta  Ta145  1  0.418712  0.689752  0.469004  1
  Ta  Ta146  1  0.893343  0.317402  0.514411  1
  Ta  Ta147  1  0.429767  0.656363  0.534233  1
  Ta  Ta148  1  0.955661  0.028157  0.488220  1
  Ta  Ta149  1  0.227277  0.315111  0.514688  1
  Ta  Ta150  1  0.752960  0.687670  0.468973  1
  Ta  Ta151  1  0.680795  0.166500  0.532867  1
  Ta  Ta152  1  0.206342  0.538486  0.487087  1
  Ta  Ta153  1  0.652477  0.948596  0.498178  1
  Ta  Ta154  1  0.127123  0.575283  0.543743  1
  Ta  Ta155  1  0.306494  0.278246  0.458059  1
  Ta  Ta156  1  0.781269  0.905587  0.503683  1
  Ta  Ta157  1  0.244131  0.092788  0.542339  1
  Ta  Ta158  1  0.769929  0.464911  0.496360  1
  Ta  Ta159  1  0.522411  1.000206  0.491961  1
  Ta  Ta160  1  0.996883  0.628015  0.537551  1
  Ta  Ta161  1  0.436792  0.225689  0.464257  1
  Ta  Ta162  1  0.911363  0.853658  0.509869  1
  Ta  Ta163  1  0.663852  0.389215  0.505454  1
  Ta  Ta164  1  0.189457  0.760829  0.459461  1
  Ta  Ta165  1  0.396028  0.981671  0.463969  1
  Ta  Ta166  1  0.870603  0.609851  0.509532  1
  Ta  Ta167  1  0.626849  0.694791  0.498539  1
  Ta  Ta168  1  0.101267  0.322579  0.544276  1
  Ta  Ta169  1  0.307016  0.658990  0.503332  1
  Ta  Ta170  1  0.832781  0.030840  0.457460  1
  Ta  Ta171  1  0.537487  0.372633  0.538115  1
  Ta  Ta172  1  0.063423  0.744013  0.492123  1
  Ta  Ta173  1  0.600989  0.823565  0.544488  1
  Ta  Ta174  1  0.126573  0.194763  0.498464  1
  Ta  Ta175  1  0.563162  0.244088  0.492270  1
  Ta  Ta176  1  0.037657  0.871928  0.537844  1
  Ta  Ta177  1  0.370280  0.109566  0.509641  1
  Ta  Ta178  1  0.896269  0.481353  0.463626  1
  Ta  Ta179  1  0.332362  0.530962  0.457551  1
  Ta  Ta180  1  0.806895  0.159482  0.503338  1
  Ta  Ta181  1  0.165821  0.182604  0.593002  1
  Ta  Ta182  1  0.691269  0.555652  0.546783  1
  Ta  Ta183  1  0.402476  0.495102  0.614651  1
  Ta  Ta184  1  0.928315  0.868991  0.569466  1
  Ta  Ta185  1  0.294267  0.133465  0.599253  1
  Ta  Ta186  1  0.820098  0.506217  0.552878  1
  Ta  Ta187  1  0.471570  0.019987  0.551238  1
  Ta  Ta188  1  0.945839  0.648446  0.596910  1
  Ta  Ta189  1  0.384689  0.717885  0.588010  1
  Ta  Ta190  1  0.859905  0.344634  0.633209  1
  Ta  Ta191  1  0.511793  0.860199  0.631652  1
  Ta  Ta192  1  0.037403  0.230754  0.585745  1
  Ta  Ta193  1  0.524801  0.349317  0.633021  1
  Ta  Ta194  1  0.050695  0.719617  0.587081  1
  Ta  Ta195  1  0.280078  0.644504  0.597742  1
  Ta  Ta196  1  0.806140  0.016907  0.551559  1
  Ta  Ta197  1  0.646705  0.382432  0.567634  1
  Ta  Ta198  1  0.121314  0.008456  0.613251  1
  Ta  Ta199  1  0.210514  0.353950  0.571264  1
  Ta  Ta200  1  0.684927  0.984645  0.617175  1
  Ta  Ta201  1  0.426545  0.080693  0.604942  1
  Ta  Ta202  1  0.952766  0.453452  0.559061  1
  Ta  Ta203  1  0.489078  0.792350  0.578782  1
  Ta  Ta204  1  0.964320  0.419101  0.623968  1
  Ta  Ta205  1  0.367355  0.945555  0.560479  1
  Ta  Ta206  1  0.842399  0.573340  0.605794  1
  Ta  Ta207  1  0.378803  0.910746  0.625808  1
  Ta  Ta208  1  0.904418  0.284026  0.579547  1
  Ta  Ta209  1  0.176329  0.569320  0.606092  1
  Ta  Ta210  1  0.701804  0.943642  0.560548  1
  Ta  Ta211  1  0.629556  0.421963  0.623682  1
  Ta  Ta212  1  0.155472  0.793021  0.578509  1
  Ta  Ta213  1  0.601283  0.204524  0.589573  1
  Ta  Ta214  1  0.076546  0.827988  0.634308  1
  Ta  Ta215  1  0.255622  0.532918  0.549577  1
  Ta  Ta216  1  0.730032  0.161865  0.595294  1
  Ta  Ta217  1  0.193581  0.347679  0.634323  1
  Ta  Ta218  1  0.718749  0.721802  0.588191  1
  Ta  Ta219  1  0.471104  0.255460  0.583387  1
  Ta  Ta220  1  0.945057  0.884202  0.629035  1
  Ta  Ta221  1  0.385448  0.481531  0.555766  1
  Ta  Ta222  1  0.859732  0.110092  0.601356  1
  Ta  Ta223  1  0.612829  0.646261  0.596949  1
  Ta  Ta224  1  0.138291  0.016650  0.551241  1
  Ta  Ta225  1  0.344811  0.237587  0.555617  1
  Ta  Ta226  1  0.819320  0.867933  0.601584  1
  Ta  Ta227  1  0.575692  0.951582  0.590331  1
  Ta  Ta228  1  0.049483  0.578417  0.636049  1
  Ta  Ta229  1  0.255747  0.915402  0.595429  1
  Ta  Ta230  1  0.781534  0.287607  0.549209  1
  Ta  Ta231  1  0.485404  0.630865  0.629223  1
  Ta  Ta232  1  0.011976  0.999615  0.583650  1
  Ta  Ta233  1  0.549843  0.080651  0.636310  1
  Ta  Ta234  1  0.075603  0.450273  0.590273  1
  Ta  Ta235  1  0.511946  0.500679  0.583724  1
  Ta  Ta236  1  0.986316  0.129533  0.628907  1
  Ta  Ta237  1  0.318351  0.365473  0.601623  1
  Ta  Ta238  1  0.844673  0.738112  0.555424  1
  Ta  Ta239  1  0.280976  0.787382  0.549363  1
  Ta  Ta240  1  0.755150  0.417952  0.595262  1
  Ta  Ta241  1  0.114865  0.430963  0.682789  1
  Ta  Ta242  1  0.640566  0.813350  0.639244  1
  Ta  Ta243  1  0.362129  0.715459  0.706356  1
  Ta  Ta244  1  0.875091  0.123017  0.660082  1
  Ta  Ta245  1  0.242618  0.390799  0.692516  1
  Ta  Ta246  1  0.769210  0.761343  0.644121  1
  Ta  Ta247  1  0.420364  0.273172  0.642150  1
  Ta  Ta248  1  0.892768  0.908338  0.690681  1
  Ta  Ta249  1  0.337324  0.952304  0.680036  1
  Ta  Ta250  1  0.816431  0.589314  0.720695  1
  Ta  Ta251  1  0.464425  0.124198  0.719724  1
  Ta  Ta252  1  0.986800  0.477646  0.677043  1
  Ta  Ta253  1  0.483303  0.618926  0.723555  1
  Ta  Ta254  1  0.998710  0.973004  0.675965  1
  Ta  Ta255  1  0.231814  0.893654  0.689643  1
  Ta  Ta256  1  0.754125  0.274654  0.643151  1
  Ta  Ta257  1  0.597061  0.635740  0.657580  1
  Ta  Ta258  1  0.070214  0.258476  0.704007  1
  Ta  Ta259  1  0.159745  0.606528  0.662448  1
  Ta  Ta260  1  0.627195  0.238690  0.706096  1
  Ta  Ta261  1  0.374703  0.338171  0.693899  1
  Ta  Ta262  1  0.902666  0.709808  0.651078  1
  Ta  Ta263  1  0.438033  0.046043  0.670154  1
  Ta  Ta264  1  0.919274  0.665780  0.711989  1
  Ta  Ta265  1  0.315414  0.196565  0.652886  1
  Ta  Ta266  1  0.793636  0.821622  0.695029  1
  Ta  Ta267  1  0.337171  0.147415  0.710980  1
  Ta  Ta268  1  0.854651  0.538594  0.670071  1
  Ta  Ta269  1  0.122318  0.826619  0.695953  1
  Ta  Ta270  1  0.650232  0.201989  0.652186  1
  Ta  Ta271  1  0.585887  0.667035  0.710484  1
  Ta  Ta272  1  0.106492  0.046340  0.668934  1
  Ta  Ta273  1  0.549547  0.461820  0.680243  1
  Ta  Ta274  1  0.028429  0.078418  0.720240  1
  Ta  Ta275  1  0.204333  0.788191  0.641545  1
  Ta  Ta276  1  0.679053  0.416321  0.685708  1
  Ta  Ta277  1  0.134358  0.603263  0.716352  1
  Ta  Ta278  1  0.668520  0.979785  0.678084  1
  Ta  Ta279  1  0.419798  0.512579  0.671980  1
  Ta  Ta280  1  0.899647  0.133942  0.713918  1
  Ta  Ta281  1  0.333376  0.737878  0.647894  1
  Ta  Ta282  1  0.810569  0.366728  0.691011  1
  Ta  Ta283  1  0.561463  0.901170  0.686634  1
  Ta  Ta284  1  0.087595  0.271346  0.642918  1
  Ta  Ta285  1  0.293351  0.493154  0.648279  1
  Ta  Ta286  1  0.761506  0.136505  0.694032  1
  Ta  Ta287  1  0.524293  0.211052  0.682266  1
  Ta  Ta288  1  1.001076  0.856257  0.724962  1
  Ta  Ta289  1  0.205064  0.176509  0.687718  1
  Ta  Ta290  1  0.730450  0.546275  0.641891  1
  Ta  Ta291  1  0.445158  0.896003  0.719169  1
  Ta  Ta292  1  0.961916  0.252301  0.675428  1
  Ta  Ta293  1  0.471878  0.394049  0.719464  1
  Ta  Ta294  1  0.021927  0.708241  0.681976  1
  Ta  Ta295  1  0.463146  0.753086  0.675829  1
  Ta  Ta296  1  0.930367  0.382166  0.720202  1
  Ta  Ta297  1  0.264052  0.628826  0.694093  1
  Ta  Ta298  1  0.792635  0.994998  0.648402  1
  Ta  Ta299  1  0.230231  0.041939  0.642278  1
  Ta  Ta300  1  0.704838  0.678024  0.689467  1
