# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46353895
_cell_length_b   24.18891793
_cell_length_c   51.12329261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93377711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12939.3828544
_cell_formula_units_Z   330
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  0.272008  0.447708  0.340609  1
  Ta  Ta2  1  0.256647  0.773738  0.311524  1
  Ta  Ta3  1  0.254230  0.089640  0.283178  1
  Ta  Ta4  1  0.780536  0.273738  0.311547  1
  Ta  Ta5  1  0.782560  0.589562  0.283197  1
  Ta  Ta6  1  0.765187  0.947740  0.340619  1
  Ta  Ta7  1  0.543385  0.110597  0.279498  1
  Ta  Ta8  1  0.522577  0.477378  0.335595  1
  Ta  Ta9  1  0.516194  0.798669  0.305956  1
  Ta  Ta10  1  0.949645  0.430464  0.342673  1
  Ta  Ta11  1  0.954741  0.747038  0.314232  1
  Ta  Ta12  1  0.936671  0.069338  0.286408  1
  Ta  Ta13  1  0.608940  0.188541  0.315869  1
  Ta  Ta14  1  0.613735  0.503481  0.285860  1
  Ta  Ta15  1  0.589176  0.866994  0.344827  1
  Ta  Ta16  1  0.961394  0.354302  0.305089  1
  Ta  Ta17  1  0.947873  0.706750  0.362820  1
  Ta  Ta18  1  0.943378  0.028468  0.334001  1
  Ta  Ta19  1  0.089301  0.206757  0.362810  1
  Ta  Ta20  1  0.093681  0.528436  0.334003  1
  Ta  Ta21  1  0.075680  0.854326  0.305078  1
  Ta  Ta22  1  0.447805  0.366875  0.344779  1
  Ta  Ta23  1  0.428066  0.688490  0.315862  1
  Ta  Ta24  1  0.423199  0.003497  0.285819  1
  Ta  Ta25  1  0.082587  0.247008  0.314213  1
  Ta  Ta26  1  0.100061  0.569241  0.286402  1
  Ta  Ta27  1  0.087608  0.930488  0.342649  1
  Ta  Ta28  1  0.520989  0.298601  0.305907  1
  Ta  Ta29  1  0.493433  0.610525  0.279506  1
  Ta  Ta30  1  0.514566  0.977373  0.335563  1
  Ta  Ta31  1  0.716515  0.368405  0.350102  1
  Ta  Ta32  1  0.696095  0.693773  0.315467  1
  Ta  Ta33  1  0.692772  0.016714  0.293880  1
  Ta  Ta34  1  0.771481  0.190670  0.364601  1
  Ta  Ta35  1  0.771726  0.509756  0.334270  1
  Ta  Ta36  1  0.774800  0.827743  0.305481  1
  Ta  Ta37  1  0.702557  0.400761  0.302230  1
  Ta  Ta38  1  0.710517  0.766209  0.355438  1
  Ta  Ta39  1  0.705774  0.088338  0.331322  1
  Ta  Ta40  1  0.896511  0.165308  0.319994  1
  Ta  Ta41  1  0.907063  0.486009  0.292103  1
  Ta  Ta42  1  0.904910  0.848756  0.349235  1
  Ta  Ta43  1  0.132391  0.348670  0.349232  1
  Ta  Ta44  1  0.140687  0.665177  0.319962  1
  Ta  Ta45  1  0.129905  0.986053  0.292085  1
  Ta  Ta46  1  0.327120  0.266086  0.355397  1
  Ta  Ta47  1  0.331591  0.588284  0.331328  1
  Ta  Ta48  1  0.334596  0.900833  0.302203  1
  Ta  Ta49  1  0.262361  0.327706  0.305443  1
  Ta  Ta50  1  0.265753  0.690663  0.364555  1
  Ta  Ta51  1  0.265370  0.009782  0.334228  1
  Ta  Ta52  1  0.340859  0.193704  0.315397  1
  Ta  Ta53  1  0.344069  0.516691  0.293873  1
  Ta  Ta54  1  0.320280  0.868201  0.350027  1
  Ta  Ta55  1  0.911432  0.288698  0.355438  1
  Ta  Ta56  1  0.912525  0.610554  0.325765  1
  Ta  Ta57  1  0.893319  0.936533  0.296453  1
  Ta  Ta58  1  0.595210  0.268813  0.354908  1
  Ta  Ta59  1  0.598669  0.588862  0.324492  1
  Ta  Ta60  1  0.603653  0.910717  0.294014  1
  Ta  Ta61  1  0.433531  0.410680  0.294023  1
  Ta  Ta62  1  0.442429  0.768703  0.354930  1
  Ta  Ta63  1  0.438570  0.088814  0.324492  1
  Ta  Ta64  1  0.143785  0.436439  0.296467  1
  Ta  Ta65  1  0.125755  0.788593  0.355440  1
  Ta  Ta66  1  0.124535  0.110501  0.325785  1
  Ta  Ta67  1  0.267100  0.485462  0.431631  1
  Ta  Ta68  1  0.265596  0.806157  0.400991  1
  Ta  Ta69  1  0.269746  0.128839  0.368968  1
  Ta  Ta70  1  0.771815  0.306184  0.401025  1
  Ta  Ta71  1  0.767577  0.628837  0.369004  1
  Ta  Ta72  1  0.770438  0.985499  0.431655  1
  Ta  Ta73  1  0.519321  0.159063  0.365868  1
  Ta  Ta74  1  0.518805  0.516074  0.428066  1
  Ta  Ta75  1  0.517263  0.836383  0.397170  1
  Ta  Ta76  1  0.947756  0.466365  0.433379  1
  Ta  Ta77  1  0.946095  0.786907  0.402582  1
  Ta  Ta78  1  0.945583  0.108923  0.372799  1
  Ta  Ta79  1  0.598010  0.225167  0.408254  1
  Ta  Ta80  1  0.593864  0.547064  0.376561  1
  Ta  Ta81  1  0.597391  0.903895  0.438717  1
  Ta  Ta82  1  0.949288  0.386454  0.393589  1
  Ta  Ta83  1  0.947580  0.745020  0.454001  1
  Ta  Ta84  1  0.948524  0.066027  0.424053  1
  Ta  Ta85  1  0.090043  0.245009  0.453979  1
  Ta  Ta86  1  0.088963  0.566022  0.424043  1
  Ta  Ta87  1  0.088034  0.886450  0.393567  1
  Ta  Ta88  1  0.439784  0.403753  0.438694  1
  Ta  Ta89  1  0.439068  0.725042  0.408239  1
  Ta  Ta90  1  0.443049  0.046927  0.376524  1
  Ta  Ta91  1  0.091341  0.286910  0.402566  1
  Ta  Ta92  1  0.091734  0.608924  0.372782  1
  Ta  Ta93  1  0.089797  0.966350  0.433352  1
  Ta  Ta94  1  0.520120  0.336341  0.397167  1
  Ta  Ta95  1  0.517963  0.659039  0.365876  1
  Ta  Ta96  1  0.518708  0.016054  0.428059  1
  Ta  Ta97  1  0.708175  0.408841  0.438727  1
  Ta  Ta98  1  0.707749  0.729530  0.406890  1
  Ta  Ta99  1  0.710278  0.048965  0.379950  1
  Ta  Ta100  1  0.771185  0.225536  0.456327  1
  Ta  Ta101  1  0.769897  0.546843  0.425527  1
  Ta  Ta102  1  0.768040  0.866761  0.394638  1
  Ta  Ta103  1  0.712772  0.446580  0.388148  1
  Ta  Ta104  1  0.708470  0.802159  0.448074  1
  Ta  Ta105  1  0.710253  0.124680  0.419077  1
  Ta  Ta106  1  0.907447  0.205936  0.410669  1
  Ta  Ta107  1  0.907188  0.528424  0.380057  1
  Ta  Ta108  1  0.905748  0.884687  0.440688  1
  Ta  Ta109  1  0.131820  0.384619  0.440684  1
  Ta  Ta110  1  0.130040  0.705860  0.410663  1
  Ta  Ta111  1  0.130148  0.028338  0.380049  1
  Ta  Ta112  1  0.329537  0.301990  0.448012  1
  Ta  Ta113  1  0.327706  0.624501  0.419014  1
  Ta  Ta114  1  0.325025  0.946393  0.388073  1
  Ta  Ta115  1  0.269354  0.366729  0.394606  1
  Ta  Ta116  1  0.266448  0.725499  0.456295  1
  Ta  Ta117  1  0.267621  0.046799  0.425484  1
  Ta  Ta118  1  0.329283  0.229348  0.406840  1
  Ta  Ta119  1  0.326572  0.548722  0.379902  1
  Ta  Ta120  1  0.328942  0.908665  0.438662  1
  Ta  Ta121  1  0.906791  0.326374  0.446542  1
  Ta  Ta122  1  0.904748  0.647198  0.415477  1
  Ta  Ta123  1  0.905683  0.967516  0.385902  1
  Ta  Ta124  1  0.598602  0.306864  0.448105  1
  Ta  Ta125  1  0.596429  0.627809  0.416725  1
  Ta  Ta126  1  0.593269  0.947448  0.386648  1
  Ta  Ta127  1  0.444545  0.447296  0.386645  1
  Ta  Ta128  1  0.439374  0.806740  0.448089  1
  Ta  Ta129  1  0.441517  0.127659  0.416697  1
  Ta  Ta130  1  0.131596  0.467420  0.385917  1
  Ta  Ta131  1  0.130787  0.826299  0.446537  1
  Ta  Ta132  1  0.132731  0.147120  0.415468  1
  Ta  Ta133  1  0.266800  0.523132  0.522790  1
  Ta  Ta134  1  0.267525  0.843921  0.492270  1
  Ta  Ta135  1  0.267725  0.164851  0.461255  1
  Ta  Ta136  1  0.770263  0.343962  0.492307  1
  Ta  Ta137  1  0.769956  0.664898  0.461297  1
  Ta  Ta138  1  0.771133  0.023156  0.522817  1
  Ta  Ta139  1  0.519306  0.195049  0.458683  1
  Ta  Ta140  1  0.518517  0.553488  0.519999  1
  Ta  Ta141  1  0.519106  0.874083  0.489385  1
  Ta  Ta142  1  0.947352  0.503392  0.524656  1
  Ta  Ta143  1  0.948559  0.824228  0.493997  1
  Ta  Ta144  1  0.949016  0.145415  0.463828  1
  Ta  Ta145  1  0.597091  0.262710  0.500306  1
  Ta  Ta146  1  0.596616  0.583678  0.469239  1
  Ta  Ta147  1  0.597614  0.941892  0.530678  1
  Ta  Ta148  1  0.947598  0.424069  0.484607  1
  Ta  Ta149  1  0.949403  0.781836  0.545296  1
  Ta  Ta150  1  0.948774  0.103167  0.515176  1
  Ta  Ta151  1  0.088560  0.281823  0.545265  1
  Ta  Ta152  1  0.089081  0.603166  0.515170  1
  Ta  Ta153  1  0.090132  0.924054  0.484583  1
  Ta  Ta154  1  0.439932  0.441762  0.530657  1
  Ta  Ta155  1  0.440313  0.762570  0.500294  1
  Ta  Ta156  1  0.440712  0.083542  0.469214  1
  Ta  Ta157  1  0.089254  0.324228  0.493976  1
  Ta  Ta158  1  0.088687  0.645408  0.463818  1
  Ta  Ta159  1  0.090591  0.003380  0.524627  1
  Ta  Ta160  1  0.518669  0.374089  0.489382  1
  Ta  Ta161  1  0.518356  0.695059  0.458686  1
  Ta  Ta162  1  0.519397  0.053484  0.519993  1
  Ta  Ta163  1  0.708643  0.445533  0.530233  1
  Ta  Ta164  1  0.709495  0.766172  0.499009  1
  Ta  Ta165  1  0.710085  0.087488  0.469667  1
  Ta  Ta166  1  0.769827  0.262560  0.547955  1
  Ta  Ta167  1  0.770100  0.583529  0.517153  1
  Ta  Ta168  1  0.770796  0.904301  0.486303  1
  Ta  Ta169  1  0.709255  0.482228  0.479399  1
  Ta  Ta170  1  0.710966  0.840094  0.539292  1
  Ta  Ta171  1  0.709944  0.161336  0.510051  1
  Ta  Ta172  1  0.906374  0.243193  0.502116  1
  Ta  Ta173  1  0.905683  0.564169  0.471464  1
  Ta  Ta174  1  0.907831  0.922183  0.531988  1
  Ta  Ta175  1  0.130137  0.422115  0.531987  1
  Ta  Ta176  1  0.131468  0.743111  0.502120  1
  Ta  Ta177  1  0.132033  0.064084  0.471451  1
  Ta  Ta178  1  0.327419  0.339927  0.539205  1
  Ta  Ta179  1  0.328330  0.661160  0.510004  1
  Ta  Ta180  1  0.328912  0.982050  0.479333  1
  Ta  Ta181  1  0.266954  0.404278  0.486265  1
  Ta  Ta182  1  0.268172  0.762511  0.547931  1
  Ta  Ta183  1  0.267793  0.083486  0.517108  1
  Ta  Ta184  1  0.327883  0.265990  0.498936  1
  Ta  Ta185  1  0.327200  0.587323  0.469612  1
  Ta  Ta186  1  0.328869  0.945357  0.530167  1
  Ta  Ta187  1  0.905326  0.363349  0.537908  1
  Ta  Ta188  1  0.906299  0.684271  0.507107  1
  Ta  Ta189  1  0.907182  0.005318  0.477042  1
  Ta  Ta190  1  0.596709  0.343976  0.540319  1
  Ta  Ta191  1  0.597609  0.664984  0.509237  1
  Ta  Ta192  1  0.597730  0.985779  0.478619  1
  Ta  Ta193  1  0.440411  0.485652  0.478602  1
  Ta  Ta194  1  0.441624  0.843841  0.540297  1
  Ta  Ta195  1  0.440638  0.164850  0.509208  1
  Ta  Ta196  1  0.130528  0.505253  0.477048  1
  Ta  Ta197  1  0.132628  0.863264  0.537899  1
  Ta  Ta198  1  0.131528  0.184185  0.507092  1
  Ta  Ta199  1  0.268904  0.559859  0.614395  1
  Ta  Ta200  1  0.269392  0.880471  0.583921  1
  Ta  Ta201  1  0.266683  0.201699  0.552917  1
  Ta  Ta202  1  0.768765  0.380515  0.583966  1
  Ta  Ta203  1  0.771361  0.701743  0.552969  1
  Ta  Ta204  1  0.769419  0.059900  0.614418  1
  Ta  Ta205  1  0.518452  0.232462  0.550793  1
  Ta  Ta206  1  0.519436  0.591364  0.612369  1
  Ta  Ta207  1  0.519798  0.911474  0.581314  1
  Ta  Ta208  1  0.947644  0.540935  0.615689  1
  Ta  Ta209  1  0.950282  0.861578  0.584844  1
  Ta  Ta210  1  0.947979  0.182332  0.555181  1
  Ta  Ta211  1  0.594091  0.300243  0.593171  1
  Ta  Ta212  1  0.597568  0.620900  0.561544  1
  Ta  Ta213  1  0.592054  0.980453  0.622734  1
  Ta  Ta214  1  0.946412  0.461089  0.575884  1
  Ta  Ta215  1  0.947072  0.818322  0.635840  1
  Ta  Ta216  1  0.946895  0.140113  0.606569  1
  Ta  Ta217  1  0.091272  0.318324  0.635813  1
  Ta  Ta218  1  0.091371  0.640106  0.606566  1
  Ta  Ta219  1  0.091734  0.961084  0.575856  1
  Ta  Ta220  1  0.445704  0.480232  0.622741  1
  Ta  Ta221  1  0.443605  0.800084  0.593147  1
  Ta  Ta222  1  0.440159  0.120784  0.561514  1
  Ta  Ta223  1  0.087920  0.361563  0.584824  1
  Ta  Ta224  1  0.090077  0.682320  0.555176  1
  Ta  Ta225  1  0.090768  0.040959  0.615660  1
  Ta  Ta226  1  0.518381  0.411496  0.581315  1
  Ta  Ta227  1  0.519577  0.732457  0.550807  1
  Ta  Ta228  1  0.518926  0.091455  0.612359  1
  Ta  Ta229  1  0.711932  0.480442  0.621851  1
  Ta  Ta230  1  0.711959  0.802094  0.589690  1
  Ta  Ta231  1  0.709351  0.125275  0.560912  1
  Ta  Ta232  1  0.765601  0.298413  0.640175  1
  Ta  Ta233  1  0.771093  0.621580  0.608491  1
  Ta  Ta234  1  0.771777  0.942276  0.577297  1
  Ta  Ta235  1  0.707326  0.518687  0.571106  1
  Ta  Ta236  1  0.713377  0.879994  0.627118  1
  Ta  Ta237  1  0.707965  0.198215  0.601935  1
  Ta  Ta238  1  0.904357  0.280308  0.593681  1
  Ta  Ta239  1  0.906149  0.601087  0.562875  1
  Ta  Ta240  1  0.908715  0.959961  0.623086  1
  Ta  Ta241  1  0.129772  0.459819  0.623106  1
  Ta  Ta242  1  0.133860  0.780227  0.593690  1
  Ta  Ta243  1  0.131966  0.101021  0.562860  1
  Ta  Ta244  1  0.325465  0.379636  0.627034  1
  Ta  Ta245  1  0.330707  0.698013  0.601908  1
  Ta  Ta246  1  0.331284  0.018522  0.571037  1
  Ta  Ta247  1  0.266374  0.442225  0.577265  1
  Ta  Ta248  1  0.272792  0.798418  0.640153  1
  Ta  Ta249  1  0.267223  0.121571  0.608447  1
  Ta  Ta250  1  0.325726  0.301879  0.589572  1
  Ta  Ta251  1  0.328359  0.625099  0.560872  1
  Ta  Ta252  1  0.325865  0.980248  0.621762  1
  Ta  Ta253  1  0.905010  0.398645  0.629356  1
  Ta  Ta254  1  0.908016  0.721309  0.598621  1
  Ta  Ta255  1  0.907099  0.042742  0.568381  1
  Ta  Ta256  1  0.590997  0.379866  0.634005  1
  Ta  Ta257  1  0.598600  0.702807  0.601553  1
  Ta  Ta258  1  0.598899  0.023932  0.570557  1
  Ta  Ta259  1  0.439640  0.523769  0.570544  1
  Ta  Ta260  1  0.447719  0.879753  0.633941  1
  Ta  Ta261  1  0.440020  0.202696  0.601522  1
  Ta  Ta262  1  0.131031  0.542670  0.568387  1
  Ta  Ta263  1  0.133316  0.898548  0.629349  1
  Ta  Ta264  1  0.130188  0.221232  0.598599  1
  Ta  Ta265  1  0.260942  0.598872  0.703303  1
  Ta  Ta266  1  0.268975  0.915170  0.675450  1
  Ta  Ta267  1  0.266276  0.236691  0.644845  1
  Ta  Ta268  1  0.769658  0.415148  0.675497  1
  Ta  Ta269  1  0.772224  0.736657  0.644910  1
  Ta  Ta270  1  0.777616  0.098933  0.703331  1
  Ta  Ta271  1  0.517711  0.268887  0.644287  1
  Ta  Ta272  1  0.517985  0.629903  0.703463  1
  Ta  Ta273  1  0.515642  0.949644  0.674059  1
  Ta  Ta274  1  0.959337  0.573449  0.703894  1
  Ta  Ta275  1  0.947545  0.899181  0.674570  1
  Ta  Ta276  1  0.947951  0.220692  0.646141  1
  Ta  Ta277  1  0.594256  0.336652  0.689061  1
  Ta  Ta278  1  0.591358  0.660558  0.655235  1
  Ta  Ta279  1  0.608052  0.014709  0.715367  1
  Ta  Ta280  1  0.945655  0.496524  0.666516  1
  Ta  Ta281  1  0.942215  0.859531  0.722021  1
  Ta  Ta282  1  0.958223  0.179946  0.694624  1
  Ta  Ta283  1  0.096740  0.359397  0.722008  1
  Ta  Ta284  1  0.080177  0.679895  0.694609  1
  Ta  Ta285  1  0.092821  -0.003449  0.666488  1
  Ta  Ta286  1  0.430449  0.514646  0.715392  1
  Ta  Ta287  1  0.444343  0.836646  0.689035  1
  Ta  Ta288  1  0.446794  0.160498  0.655258  1
  Ta  Ta289  1  0.091020  0.399146  0.674575  1
  Ta  Ta290  1  0.090593  0.720702  0.646142  1
  Ta  Ta291  1  0.079301  0.073488  0.703872  1
  Ta  Ta292  1  0.522931  0.449622  0.674121  1
  Ta  Ta293  1  0.520736  0.768912  0.644283  1
  Ta  Ta294  1  0.520535  0.130015  0.703506  1
  Ta  Ta295  1  0.699927  0.527663  0.706649  1
  Ta  Ta296  1  0.711448  0.840534  0.674496  1
  Ta  Ta297  1  0.715530  0.158789  0.652452  1
  Ta  Ta298  1  0.797072  0.338407  0.725911  1
  Ta  Ta299  1  0.777983  0.655352  0.697674  1
  Ta  Ta300  1  0.765509  0.978236  0.668141  1
  Ta  Ta301  1  0.715247  0.560798  0.658998  1
  Ta  Ta302  1  0.691931  0.905718  0.714125  1
  Ta  Ta303  1  0.704616  0.230993  0.691266  1
  Ta  Ta304  1  0.912414  0.316232  0.682527  1
  Ta  Ta305  1  0.911300  0.639108  0.653944  1
  Ta  Ta306  1  0.893974  -0.009708  0.712122  1
  Ta  Ta307  1  0.144639  0.490167  0.712141  1
  Ta  Ta308  1  0.126212  0.816209  0.682560  1
  Ta  Ta309  1  0.127318  0.139029  0.653939  1
  Ta  Ta310  1  0.346908  0.405659  0.714160  1
  Ta  Ta311  1  0.334029  0.730958  0.691217  1
  Ta  Ta312  1  0.323780  0.060589  0.658906  1
  Ta  Ta313  1  0.273033  0.478161  0.668138  1
  Ta  Ta314  1  0.241965  0.838515  0.725893  1
  Ta  Ta315  1  0.260535  0.155359  0.697649  1
  Ta  Ta316  1  0.326920  0.340572  0.674497  1
  Ta  Ta317  1  0.322657  0.658653  0.652445  1
  Ta  Ta318  1  0.338618  0.027758  0.706612  1
  Ta  Ta319  1  0.906442  0.443153  0.716833  1
  Ta  Ta320  1  0.898141  0.763986  0.689223  1
  Ta  Ta321  1  0.907975  0.077278  0.659751  1
  Ta  Ta322  1  0.620524  0.425541  0.723980  1
  Ta  Ta323  1  0.613337  0.744920  0.695380  1
  Ta  Ta324  1  0.591287  0.060247  0.664900  1
  Ta  Ta325  1  0.447519  0.560074  0.664851  1
  Ta  Ta326  1  0.418294  0.925584  0.723929  1
  Ta  Ta327  1  0.425146  0.244939  0.695374  1
  Ta  Ta328  1  0.130492  0.577155  0.659756  1
  Ta  Ta329  1  0.132301  0.943217  0.716808  1
  Ta  Ta330  1  0.140409  0.263869  0.689183  1
