# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17905862
_cell_length_b   21.55334352
_cell_length_c   51.91104605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.44910722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta264
_cell_volume   10205.0616762
_cell_formula_units_Z   264
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  0.296650  0.750726  0.328917  1
  Ta  Ta2  1  0.123089  0.275913  0.290220  1
  Ta  Ta3  1  0.625171  0.504638  0.307936  1
  Ta  Ta4  1  0.602184  0.037151  0.276596  1
  Ta  Ta5  1  0.172675  0.631782  0.325981  1
  Ta  Ta6  1  0.038139  0.152574  0.287562  1
  Ta  Ta7  1  0.284197  0.422080  0.299584  1
  Ta  Ta8  1  0.380436  0.900750  0.335579  1
  Ta  Ta9  1  0.929454  0.613931  0.295611  1
  Ta  Ta10  1  0.060861  0.081639  0.330059  1
  Ta  Ta11  1  0.519170  0.396113  0.326315  1
  Ta  Ta12  1  0.385465  0.941460  0.287822  1
  Ta  Ta13  1  0.887374  0.860114  0.280393  1
  Ta  Ta14  1  0.995529  0.358721  0.315766  1
  Ta  Ta15  1  0.472003  0.690967  0.298054  1
  Ta  Ta16  1  0.567452  0.143446  0.338104  1
  Ta  Ta17  1  0.860536  0.839813  0.330064  1
  Ta  Ta18  1  0.727304  0.361222  0.295357  1
  Ta  Ta19  1  0.676076  0.624821  0.323538  1
  Ta  Ta20  1  0.553905  0.158572  0.286068  1
  Ta  Ta21  1  0.365366  0.570810  0.297437  1
  Ta  Ta22  1  0.543991  0.021045  0.328510  1
  Ta  Ta23  1  0.108115  0.503666  0.322394  1
  Ta  Ta24  1  0.942956  1.014942  0.285943  1
  Ta  Ta25  1  0.402444  0.519475  0.344576  1
  Ta  Ta26  1  0.298093  0.056554  0.303445  1
  Ta  Ta27  1  0.881773  0.483716  0.290177  1
  Ta  Ta28  1  0.076114  0.934835  0.315342  1
  Ta  Ta29  1  0.541596  0.824328  0.305282  1
  Ta  Ta30  1  0.433063  0.302574  0.280309  1
  Ta  Ta31  1  0.749275  0.732163  0.286473  1
  Ta  Ta32  1  0.842221  0.226961  0.324493  1
  Ta  Ta33  1  0.652438  0.744009  0.340728  1
  Ta  Ta34  1  0.569383  0.257988  0.317389  1
  Ta  Ta35  1  0.991674  0.740111  0.311360  1
  Ta  Ta36  1  0.796539  0.246544  0.276671  1
  Ta  Ta37  1  0.832041  0.433741  0.340756  1
  Ta  Ta38  1  0.702321  0.938806  0.303449  1
  Ta  Ta39  1  0.659453  0.598198  0.272480  1
  Ta  Ta40  1  0.787109  0.102662  0.308564  1
  Ta  Ta41  1  0.197046  0.694853  0.280340  1
  Ta  Ta42  1  0.305300  0.187026  0.312157  1
  Ta  Ta43  1  0.193416  0.832277  0.295589  1
  Ta  Ta44  1  0.284415  0.311794  0.333481  1
  Ta  Ta45  1  0.542071  0.715156  0.404718  1
  Ta  Ta46  1  0.419997  0.233189  0.366333  1
  Ta  Ta47  1  0.977180  0.472306  0.384865  1
  Ta  Ta48  1  0.855445  0.989620  0.344392  1
  Ta  Ta49  1  0.431878  0.591676  0.401841  1
  Ta  Ta50  1  0.306655  0.109403  0.361763  1
  Ta  Ta51  1  0.490193  0.386887  0.377337  1
  Ta  Ta52  1  0.626262  0.871462  0.411808  1
  Ta  Ta53  1  0.178816  0.567275  0.370846  1
  Ta  Ta54  1  0.311062  0.046713  0.409355  1
  Ta  Ta55  1  0.768114  0.381424  0.400095  1
  Ta  Ta56  1  0.647404  0.895175  0.358161  1
  Ta  Ta57  1  0.128271  0.827258  0.353787  1
  Ta  Ta58  1  0.246088  0.306592  0.393414  1
  Ta  Ta59  1  0.699345  0.637153  0.377370  1
  Ta  Ta60  1  0.828167  0.120631  0.416684  1
  Ta  Ta61  1  0.107989  0.803573  0.407110  1
  Ta  Ta62  1  0.985837  0.321293  0.368713  1
  Ta  Ta63  1  0.931401  0.589701  0.401564  1
  Ta  Ta64  1  0.811284  0.106554  0.362700  1
  Ta  Ta65  1  0.656289  0.504768  0.369172  1
  Ta  Ta66  1  0.792514  0.991075  0.406224  1
  Ta  Ta67  1  0.329412  0.467044  0.400672  1
  Ta  Ta68  1  0.217661  0.984700  0.357427  1
  Ta  Ta69  1  0.658619  0.490368  0.421566  1
  Ta  Ta70  1  0.538749  1.007962  0.380699  1
  Ta  Ta71  1  0.196908  0.417134  0.356074  1
  Ta  Ta72  1  0.320007  0.901188  0.393488  1
  Ta  Ta73  1  0.794234  0.791391  0.384877  1
  Ta  Ta74  1  0.696130  0.323694  0.353698  1
  Ta  Ta75  1  0.957955  0.695560  0.358184  1
  Ta  Ta76  1  0.082926  0.186561  0.398242  1
  Ta  Ta77  1  0.898345  0.708063  0.418739  1
  Ta  Ta78  1  0.771260  0.224625  0.379872  1
  Ta  Ta79  1  0.218949  0.696429  0.384654  1
  Ta  Ta80  1  0.089051  0.205533  0.346222  1
  Ta  Ta81  1  0.081874  0.388942  0.419456  1
  Ta  Ta82  1  0.962246  0.907204  0.379333  1
  Ta  Ta83  1  0.894566  0.563647  0.343622  1
  Ta  Ta84  1  0.042832  0.057426  0.385237  1
  Ta  Ta85  1  0.430524  0.651946  0.352147  1
  Ta  Ta86  1  0.556518  0.135552  0.393752  1
  Ta  Ta87  1  0.435751  0.798899  0.371639  1
  Ta  Ta88  1  0.554745  0.281183  0.411311  1
  Ta  Ta89  1  0.788920  0.680810  0.482884  1
  Ta  Ta90  1  0.664209  0.196694  0.443927  1
  Ta  Ta91  1  0.224185  0.438739  0.463124  1
  Ta  Ta92  1  0.101677  0.954888  0.423566  1
  Ta  Ta93  1  0.684874  0.556759  0.480067  1
  Ta  Ta94  1  0.560174  0.072619  0.440616  1
  Ta  Ta95  1  0.748162  0.354062  0.452069  1
  Ta  Ta96  1  0.873474  0.836492  0.489703  1
  Ta  Ta97  1  0.433667  0.531793  0.449831  1
  Ta  Ta98  1  0.562832  1.010691  0.487884  1
  Ta  Ta99  1  0.016585  0.343484  0.475479  1
  Ta  Ta100  1  0.892622  0.860585  0.436145  1
  Ta  Ta101  1  0.376319  0.792374  0.430972  1
  Ta  Ta102  1  0.498815  0.274106  0.470136  1
  Ta  Ta103  1  0.953448  0.605781  0.455770  1
  Ta  Ta104  1  0.081406  0.087060  0.494455  1
  Ta  Ta105  1  0.356027  0.768646  0.484532  1
  Ta  Ta106  1  0.229998  0.284866  0.446412  1
  Ta  Ta107  1  0.184274  0.556598  0.480169  1
  Ta  Ta108  1  0.061392  0.072560  0.440328  1
  Ta  Ta109  1  0.914028  0.475357  0.446369  1
  Ta  Ta110  1  0.039820  0.957393  0.484580  1
  Ta  Ta111  1  0.582989  0.432263  0.477659  1
  Ta  Ta112  1  0.459208  0.948411  0.437619  1
  Ta  Ta113  1  0.909471  0.453808  0.498373  1
  Ta  Ta114  1  0.786398  0.970733  0.458587  1
  Ta  Ta115  1  0.441165  0.383003  0.434183  1
  Ta  Ta116  1  0.569595  0.865384  0.471349  1
  Ta  Ta117  1  0.039575  0.757181  0.462978  1
  Ta  Ta118  1  0.913819  0.273885  0.424639  1
  Ta  Ta119  1  0.208021  0.671202  0.436357  1
  Ta  Ta120  1  0.332692  0.153302  0.475118  1
  Ta  Ta121  1  0.145992  0.674476  0.497182  1
  Ta  Ta122  1  0.021419  0.190091  0.458190  1
  Ta  Ta123  1  0.462518  0.660316  0.462037  1
  Ta  Ta124  1  0.338211  0.175749  0.423299  1
  Ta  Ta125  1  0.332169  0.354487  0.496601  1
  Ta  Ta126  1  0.208072  0.871502  0.457536  1
  Ta  Ta127  1  0.161925  0.542126  0.425978  1
  Ta  Ta128  1  0.291457  0.023009  0.464345  1
  Ta  Ta129  1  0.682130  0.619087  0.432622  1
  Ta  Ta130  1  0.809465  0.098950  0.471302  1
  Ta  Ta131  1  0.680385  0.763670  0.449037  1
  Ta  Ta132  1  0.803526  0.245897  0.487939  1
  Ta  Ta133  1  0.037526  0.645581  0.561002  1
  Ta  Ta134  1  0.913744  0.161728  0.520961  1
  Ta  Ta135  1  0.475314  0.403900  0.540430  1
  Ta  Ta136  1  0.350742  0.919516  0.501438  1
  Ta  Ta137  1  0.936559  0.521372  0.558004  1
  Ta  Ta138  1  0.811859  0.037233  0.518554  1
  Ta  Ta139  1  -0.002082  0.319885  0.528484  1
  Ta  Ta140  1  0.120414  0.801617  0.567649  1
  Ta  Ta141  1  0.687268  0.495041  0.527319  1
  Ta  Ta142  1  0.814603  0.974905  0.565999  1
  Ta  Ta143  1  0.266735  0.309126  0.552208  1
  Ta  Ta144  1  0.140706  0.825346  0.514088  1
  Ta  Ta145  1  0.623259  0.757499  0.508917  1
  Ta  Ta146  1  0.748572  0.239930  0.546551  1
  Ta  Ta147  1  0.205277  0.570983  0.534275  1
  Ta  Ta148  1  0.334808  0.051865  0.572643  1
  Ta  Ta149  1  0.604111  0.733406  0.562475  1
  Ta  Ta150  1  0.480148  0.250507  0.523141  1
  Ta  Ta151  1  0.435341  0.521432  0.558292  1
  Ta  Ta152  1  0.312459  0.037394  0.518452  1
  Ta  Ta153  1  0.164041  0.440690  0.523502  1
  Ta  Ta154  1  0.288712  0.922789  0.562263  1
  Ta  Ta155  1  0.832525  0.397297  0.554694  1
  Ta  Ta156  1  0.707813  0.913182  0.515737  1
  Ta  Ta157  1  0.158522  0.418243  0.575322  1
  Ta  Ta158  1  0.034215  0.933676  0.536583  1
  Ta  Ta159  1  0.693208  0.348095  0.510682  1
  Ta  Ta160  1  0.816349  0.830321  0.549584  1
  Ta  Ta161  1  0.288661  0.722490  0.541084  1
  Ta  Ta162  1  0.164564  0.239504  0.502020  1
  Ta  Ta163  1  0.456913  0.636598  0.514041  1
  Ta  Ta164  1  0.582705  0.118634  0.552252  1
  Ta  Ta165  1  0.395056  0.639104  0.575055  1
  Ta  Ta166  1  0.272548  0.155252  0.535496  1
  Ta  Ta167  1  0.710335  0.623258  0.540034  1
  Ta  Ta168  1  0.587263  0.140184  0.500248  1
  Ta  Ta169  1  0.582914  0.320106  0.573982  1
  Ta  Ta170  1  0.457158  0.836810  0.535642  1
  Ta  Ta171  1  0.415328  0.506931  0.504165  1
  Ta  Ta172  1  0.543285  0.988210  0.542850  1
  Ta  Ta173  1  0.933901  0.583300  0.510737  1
  Ta  Ta174  1  0.063066  0.062199  0.548790  1
  Ta  Ta175  1  0.927139  0.728608  0.527272  1
  Ta  Ta176  1  0.055568  0.210989  0.564438  1
  Ta  Ta177  1  0.279072  0.609292  0.641194  1
  Ta  Ta178  1  0.167321  0.126947  0.597949  1
  Ta  Ta179  1  0.725474  0.369367  0.618748  1
  Ta  Ta180  1  0.598388  0.885929  0.579882  1
  Ta  Ta181  1  0.190079  0.484588  0.636858  1
  Ta  Ta182  1  0.064855  1.002316  0.596780  1
  Ta  Ta183  1  0.250645  0.287399  0.605207  1
  Ta  Ta184  1  0.368462  0.766733  0.644833  1
  Ta  Ta185  1  0.940216  0.458439  0.604868  1
  Ta  Ta186  1  0.066209  0.942045  0.646474  1
  Ta  Ta187  1  0.510896  0.272699  0.629908  1
  Ta  Ta188  1  0.388744  0.790418  0.591511  1
  Ta  Ta189  1  0.870471  0.722529  0.586813  1
  Ta  Ta190  1  0.006541  0.207105  0.621284  1
  Ta  Ta191  1  0.453901  0.536565  0.613383  1
  Ta  Ta192  1  0.602167  0.030344  0.654999  1
  Ta  Ta193  1  0.849329  0.698817  0.640459  1
  Ta  Ta194  1  0.728619  0.212568  0.598526  1
  Ta  Ta195  1  0.685450  0.487437  0.635921  1
  Ta  Ta196  1  0.565332  1.004291  0.597057  1
  Ta  Ta197  1  0.413807  0.407430  0.600378  1
  Ta  Ta198  1  0.538778  0.898432  0.640436  1
  Ta  Ta199  1  0.076736  0.360802  0.632288  1
  Ta  Ta200  1  0.954662  0.878836  0.593903  1
  Ta  Ta201  1  0.407683  0.388458  0.652398  1
  Ta  Ta202  1  0.277784  0.897562  0.613967  1
  Ta  Ta203  1  0.941989  0.312809  0.587310  1
  Ta  Ta204  1  0.060982  0.795092  0.626981  1
  Ta  Ta205  1  0.534487  0.686787  0.619288  1
  Ta  Ta206  1  0.414859  0.205050  0.579165  1
  Ta  Ta207  1  0.704219  0.602917  0.592397  1
  Ta  Ta208  1  0.840444  0.089223  0.629448  1
  Ta  Ta209  1  0.641288  0.604372  0.654229  1
  Ta  Ta210  1  0.519553  0.121685  0.613755  1
  Ta  Ta211  1  0.957985  0.586029  0.617922  1
  Ta  Ta212  1  0.838115  0.103624  0.577055  1
  Ta  Ta213  1  0.800604  0.270297  0.644922  1
  Ta  Ta214  1  0.702499  0.802600  0.613744  1
  Ta  Ta215  1  0.668567  0.473361  0.581936  1
  Ta  Ta216  1  0.797389  0.956838  0.621251  1
  Ta  Ta217  1  0.185671  0.547279  0.589266  1
  Ta  Ta218  1  0.317918  0.026717  0.627774  1
  Ta  Ta219  1  0.176726  0.692803  0.605133  1
  Ta  Ta220  1  0.299826  0.176858  0.642547  1
  Ta  Ta221  1  0.553777  0.579049  0.712677  1
  Ta  Ta222  1  0.388619  0.090325  0.676226  1
  Ta  Ta223  1  0.927351  0.336003  0.681232  1
  Ta  Ta224  1  0.844296  0.849983  0.657893  1
  Ta  Ta225  1  0.458594  0.441418  0.711059  1
  Ta  Ta226  1  0.324058  0.962210  0.672640  1
  Ta  Ta227  1  0.501205  0.235270  0.682854  1
  Ta  Ta228  1  0.609359  0.733878  0.718228  1
  Ta  Ta229  1  0.191433  0.406966  0.686464  1
  Ta  Ta230  1  0.299687  0.899138  0.718281  1
  Ta  Ta231  1  0.769430  0.232769  0.703264  1
  Ta  Ta232  1  0.636197  0.754178  0.668556  1
  Ta  Ta233  1  0.116298  0.693241  0.663042  1
  Ta  Ta234  1  0.212536  0.171911  0.699037  1
  Ta  Ta235  1  0.709624  0.491329  0.690057  1
  Ta  Ta236  1  0.837281  0.995794  0.726141  1
  Ta  Ta237  1  0.111268  0.652532  0.710798  1
  Ta  Ta238  1  0.977564  0.197878  0.672305  1
  Ta  Ta239  1  0.942828  0.435419  0.712552  1
  Ta  Ta240  1  0.820657  0.969170  0.675082  1
  Ta  Ta241  1  0.654512  0.367030  0.674128  1
  Ta  Ta242  1  0.747458  0.861828  0.712147  1
  Ta  Ta243  1  0.373644  0.318079  0.708401  1
  Ta  Ta244  1  0.200083  0.843265  0.669704  1
  Ta  Ta245  1  0.700195  0.347448  0.721950  1
  Ta  Ta246  1  0.505060  0.853880  0.687261  1
  Ta  Ta247  1  0.212318  0.282197  0.665139  1
  Ta  Ta248  1  0.303318  0.761714  0.703032  1
  Ta  Ta249  1  0.794412  0.655185  0.695171  1
  Ta  Ta250  1  0.664692  0.160250  0.657865  1
  Ta  Ta251  1  0.952743  0.572946  0.670110  1
  Ta  Ta252  1  0.131368  0.023181  0.701184  1
  Ta  Ta253  1  0.894550  0.556841  0.722024  1
  Ta  Ta254  1  0.871562  0.089353  0.690684  1
  Ta  Ta255  1  0.198640  0.537438  0.695176  1
  Ta  Ta256  1  0.094289  0.074516  0.654045  1
  Ta  Ta257  1  0.063670  0.291418  0.718312  1
  Ta  Ta258  1  0.955138  0.769664  0.693339  1
  Ta  Ta259  1  0.929281  0.450545  0.660517  1
  Ta  Ta260  1  0.024730  0.903024  0.700566  1
  Ta  Ta261  1  0.435872  0.512352  0.668562  1
  Ta  Ta262  1  0.567279  0.980060  0.703010  1
  Ta  Ta263  1  0.420620  0.659156  0.683279  1
  Ta  Ta264  1  0.614960  0.110275  0.708443  1
