# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.99217357
_cell_length_b   11.89824879
_cell_length_c   47.43904842
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.61017576
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12935.7513273
_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  0.791711  0.521432  0.302757  1
  Ta  Ta2  1  0.467494  0.466102  0.332594  1
  Ta  Ta3  1  0.099620  0.527351  0.272672  1
  Ta  Ta4  1  0.625963  0.983713  0.314035  1
  Ta  Ta5  1  0.312574  0.932890  0.346353  1
  Ta  Ta6  1  0.959250  0.050786  0.289522  1
  Ta  Ta7  1  0.740927  0.311436  0.286629  1
  Ta  Ta8  1  0.429194  0.210366  0.301891  1
  Ta  Ta9  1  0.116904  0.204632  0.334996  1
  Ta  Ta10  1  0.510503  0.704175  0.350069  1
  Ta  Ta11  1  0.151151  0.789269  0.291859  1
  Ta  Ta12  1  0.822452  0.770731  0.331672  1
  Ta  Ta13  1  0.721728  0.129881  0.320184  1
  Ta  Ta14  1  0.402089  0.092909  0.354243  1
  Ta  Ta15  1  0.054963  0.232218  0.284176  1
  Ta  Ta16  1  0.526544  0.851750  0.305647  1
  Ta  Ta17  1  0.218110  0.771167  0.337448  1
  Ta  Ta18  1  0.856762  0.905115  0.290524  1
  Ta  Ta19  1  0.715224  0.656572  0.326666  1
  Ta  Ta20  1  0.396373  0.617298  0.357293  1
  Ta  Ta21  1  0.036135  0.712359  0.291032  1
  Ta  Ta22  1  0.540193  0.326850  0.305178  1
  Ta  Ta23  1  0.239760  0.296121  0.332047  1
  Ta  Ta24  1  0.868827  0.383804  0.280866  1
  Ta  Ta25  1  0.623283  0.730256  0.295073  1
  Ta  Ta26  1  0.325743  0.742075  0.314780  1
  Ta  Ta27  1  0.997819  0.630414  0.343676  1
  Ta  Ta28  1  0.620609  0.218622  0.336384  1
  Ta  Ta29  1  0.297263  0.325484  0.282200  1
  Ta  Ta30  1  0.944594  0.261016  0.310557  1
  Ta  Ta31  1  0.526145  0.088658  0.284154  1
  Ta  Ta32  1  0.194148  1.008933  0.335204  1
  Ta  Ta33  1  0.891423  1.005535  0.345250  1
  Ta  Ta34  1  0.754553  0.933344  0.350234  1
  Ta  Ta35  1  0.404406  0.970356  0.295778  1
  Ta  Ta36  1  0.074832  0.977926  0.310296  1
  Ta  Ta37  1  0.519914  0.070840  0.339016  1
  Ta  Ta38  1  0.187768  0.138490  0.288417  1
  Ta  Ta39  1  0.834133  0.118804  0.304637  1
  Ta  Ta40  1  0.731890  0.885863  0.296954  1
  Ta  Ta41  1  0.429885  0.863602  0.341537  1
  Ta  Ta42  1  0.094043  0.800546  0.349092  1
  Ta  Ta43  1  0.592844  0.569522  0.337134  1
  Ta  Ta44  1  0.280409  0.527021  0.358090  1
  Ta  Ta45  1  0.901171  0.645296  0.303161  1
  Ta  Ta46  1  0.652320  0.449754  0.302110  1
  Ta  Ta47  1  0.359788  0.331273  0.335993  1
  Ta  Ta48  1  0.984381  0.487347  0.286333  1
  Ta  Ta49  1  0.531347  0.572131  0.287962  1
  Ta  Ta50  1  0.222973  0.557728  0.307564  1
  Ta  Ta51  1  0.914309  0.459442  0.337810  1
  Ta  Ta52  1  0.715205  0.387228  0.348845  1
  Ta  Ta53  1  0.340648  0.518817  0.306082  1
  Ta  Ta54  1  0.052690  0.395965  0.323586  1
  Ta  Ta55  1  0.641531  0.800703  0.349806  1
  Ta  Ta56  1  0.260441  0.915590  0.291402  1
  Ta  Ta57  1  0.962709  0.850823  0.318838  1
  Ta  Ta58  1  0.631774  0.203594  0.280648  1
  Ta  Ta59  1  0.309475  0.121317  0.308149  1
  Ta  Ta60  1  0.005975  0.117048  0.342638  1
  Ta  Ta61  1  0.428316  0.424025  0.279206  1
  Ta  Ta62  1  0.160879  0.362059  0.292758  1
  Ta  Ta63  1  0.818069  0.315993  0.331300  1
  Ta  Ta64  1  0.813007  0.554122  0.360057  1
  Ta  Ta65  1  0.434926  0.685909  0.298985  1
  Ta  Ta66  1  0.114991  0.596360  0.325902  1
  Ta  Ta67  1  0.828374  0.358765  0.392106  1
  Ta  Ta68  1  0.504149  0.308005  0.423861  1
  Ta  Ta69  1  0.157840  0.414912  0.360555  1
  Ta  Ta70  1  0.663753  0.838482  0.407671  1
  Ta  Ta71  1  0.351870  0.785442  0.441590  1
  Ta  Ta72  1  0.992352  0.886458  0.373723  1
  Ta  Ta73  1  0.783059  0.149065  0.371069  1
  Ta  Ta74  1  0.467613  0.056541  0.400492  1
  Ta  Ta75  1  0.146505  0.048879  0.431140  1
  Ta  Ta76  1  0.536021  0.559951  0.452211  1
  Ta  Ta77  1  0.181596  0.644332  0.380987  1
  Ta  Ta78  1  0.854481  0.640221  0.419179  1
  Ta  Ta79  1  0.749368  1.008616  0.416531  1
  Ta  Ta80  1  0.403974  0.991177  0.456827  1
  Ta  Ta81  1  0.097204  0.011897  0.374512  1
  Ta  Ta82  1  0.584341  0.665811  0.399368  1
  Ta  Ta83  1  0.243860  0.525218  0.418085  1
  Ta  Ta84  1  0.903122  0.723481  0.369289  1
  Ta  Ta85  1  0.754376  0.494632  0.416139  1
  Ta  Ta86  1  0.428323  0.454594  0.444552  1
  Ta  Ta87  1  0.069531  0.556501  0.383628  1
  Ta  Ta88  1  0.574971  0.166360  0.397088  1
  Ta  Ta89  1  0.262385  0.134104  0.425903  1
  Ta  Ta90  1  0.905086  0.228519  0.365308  1
  Ta  Ta91  1  0.676365  0.563241  0.378715  1
  Ta  Ta92  1  0.360614  0.585070  0.412691  1
  Ta  Ta93  1  0.020729  0.471209  0.437560  1
  Ta  Ta94  1  0.637096  0.039138  0.432621  1
  Ta  Ta95  1  0.295793  0.145883  0.368888  1
  Ta  Ta96  1  0.969792  0.083723  0.399346  1
  Ta  Ta97  1  0.550934  0.905552  0.376178  1
  Ta  Ta98  1  0.234975  0.737502  0.433573  1
  Ta  Ta99  1  0.919972  0.854293  0.433754  1
  Ta  Ta100  1  0.779427  0.778629  0.443053  1
  Ta  Ta101  1  0.416405  0.847564  0.394664  1
  Ta  Ta102  1  0.108307  0.803737  0.407393  1
  Ta  Ta103  1  0.530065  0.906544  0.432905  1
  Ta  Ta104  1  0.211818  0.919303  0.392240  1
  Ta  Ta105  1  0.847442  0.910929  0.393014  1
  Ta  Ta106  1  0.759624  0.739329  0.385612  1
  Ta  Ta107  1  0.475133  0.694473  0.416397  1
  Ta  Ta108  1  0.121533  0.619123  0.442320  1
  Ta  Ta109  1  0.615297  0.430588  0.425191  1
  Ta  Ta110  1  0.315518  0.367084  0.455762  1
  Ta  Ta111  1  0.931611  0.496371  0.395678  1
  Ta  Ta112  1  0.688373  0.272127  0.399076  1
  Ta  Ta113  1  0.386314  0.195142  0.420939  1
  Ta  Ta114  1  0.011074  0.350976  0.373702  1
  Ta  Ta115  1  0.588504  0.387478  0.369009  1
  Ta  Ta116  1  0.273396  0.340681  0.395617  1
  Ta  Ta117  1  0.950560  0.286379  0.426029  1
  Ta  Ta118  1  0.768238  0.233237  0.439070  1
  Ta  Ta119  1  0.388435  0.381788  0.388979  1
  Ta  Ta120  1  0.074563  0.212918  0.401182  1
  Ta  Ta121  1  0.677263  0.637390  0.440554  1
  Ta  Ta122  1  0.304085  0.745865  0.381254  1
  Ta  Ta123  1  0.996732  0.699212  0.409412  1
  Ta  Ta124  1  0.658041  0.042542  0.371045  1
  Ta  Ta125  1  0.329138  0.973416  0.407724  1
  Ta  Ta126  1  0.034763  0.953859  0.432624  1
  Ta  Ta127  1  0.481761  0.267723  0.363942  1
  Ta  Ta128  1  0.183580  0.186946  0.383719  1
  Ta  Ta129  1  0.861109  0.127991  0.417188  1
  Ta  Ta130  1  0.862868  0.407492  0.448365  1
  Ta  Ta131  1  0.496014  0.500716  0.389673  1
  Ta  Ta132  1  0.133199  0.411034  0.416645  1
  Ta  Ta133  1  0.866625  0.216872  0.481674  1
  Ta  Ta134  1  0.540959  0.171033  0.516541  1
  Ta  Ta135  1  0.190447  0.276676  0.449862  1
  Ta  Ta136  1  0.710209  0.691015  0.498087  1
  Ta  Ta137  1  0.384719  0.650013  0.532000  1
  Ta  Ta138  1  0.033838  0.751284  0.464863  1
  Ta  Ta139  1  0.831350  0.985350  0.461509  1
  Ta  Ta140  1  0.506554  0.910278  0.492152  1
  Ta  Ta141  1  0.187126  0.893642  0.519020  1
  Ta  Ta142  1  0.569249  0.401729  0.538490  1
  Ta  Ta143  1  0.218622  0.517787  0.472983  1
  Ta  Ta144  1  0.894043  0.484201  0.506308  1
  Ta  Ta145  1  0.775386  0.882460  0.511980  1
  Ta  Ta146  1  0.469954  0.812743  0.540987  1
  Ta  Ta147  1  0.067795  0.997880  0.488910  1
  Ta  Ta148  1  0.625922  0.523409  0.490145  1
  Ta  Ta149  1  0.298868  0.499330  0.519276  1
  Ta  Ta150  1  0.935024  0.609224  0.460922  1
  Ta  Ta151  1  0.791039  0.353716  0.507100  1
  Ta  Ta152  1  0.454666  0.289722  0.538837  1
  Ta  Ta153  1  0.110490  0.414967  0.478028  1
  Ta  Ta154  1  0.612470  0.029966  0.490676  1
  Ta  Ta155  1  0.301304  0.990326  0.518781  1
  Ta  Ta156  1  0.952023  0.087647  0.460755  1
  Ta  Ta157  1  0.710267  0.397762  0.465450  1
  Ta  Ta158  1  0.433149  0.471269  0.502831  1
  Ta  Ta159  1  0.086599  0.402630  0.534733  1
  Ta  Ta160  1  0.688262  0.993589  0.533843  1
  Ta  Ta161  1  0.265758  0.935585  0.460412  1
  Ta  Ta162  1  0.955670  0.890487  0.491130  1
  Ta  Ta163  1  0.590465  0.767986  0.463674  1
  Ta  Ta164  1  0.260636  0.732416  0.494655  1
  Ta  Ta165  1  0.953183  0.687049  0.524810  1
  Ta  Ta166  1  0.814426  0.622923  0.534453  1
  Ta  Ta167  1  0.450259  0.712095  0.472013  1
  Ta  Ta168  1  0.142369  0.665233  0.501313  1
  Ta  Ta169  1  0.616227  0.803760  0.521454  1
  Ta  Ta170  1  0.148715  0.851394  0.462974  1
  Ta  Ta171  1  0.857844  0.754352  0.487161  1
  Ta  Ta172  1  0.792630  0.563745  0.473946  1
  Ta  Ta173  1  0.526941  0.633352  0.513194  1
  Ta  Ta174  1  0.190489  0.526236  0.535773  1
  Ta  Ta175  1  0.665689  0.276225  0.513858  1
  Ta  Ta176  1  0.338753  0.288151  0.516738  1
  Ta  Ta177  1  0.979810  0.344583  0.486358  1
  Ta  Ta178  1  0.736133  0.115093  0.484336  1
  Ta  Ta179  1  0.424594  0.060344  0.514757  1
  Ta  Ta180  1  0.060728  0.206543  0.456675  1
  Ta  Ta181  1  0.622378  0.239233  0.458609  1
  Ta  Ta182  1  0.309422  0.144292  0.476949  1
  Ta  Ta183  1  0.986968  0.154368  0.518163  1
  Ta  Ta184  1  0.781517  0.145181  0.539345  1
  Ta  Ta185  1  0.426196  0.246277  0.477047  1
  Ta  Ta186  1  0.104613  0.208635  0.511240  1
  Ta  Ta187  1  0.710666  0.492971  0.530826  1
  Ta  Ta188  1  0.339797  0.591779  0.470327  1
  Ta  Ta189  1  0.030581  0.558368  0.498074  1
  Ta  Ta190  1  0.695332  0.894655  0.468285  1
  Ta  Ta191  1  0.371987  0.837341  0.500446  1
  Ta  Ta192  1  0.064522  0.805997  0.522041  1
  Ta  Ta193  1  0.512610  0.115447  0.457471  1
  Ta  Ta194  1  0.186936  0.085885  0.485582  1
  Ta  Ta195  1  0.873109  0.029207  0.516177  1
  Ta  Ta196  1  0.890887  0.269519  0.540408  1
  Ta  Ta197  1  0.535570  0.362773  0.482723  1
  Ta  Ta198  1  0.215717  0.318123  0.507111  1
  Ta  Ta199  1  0.903482  0.080593  0.573396  1
  Ta  Ta200  1  0.573301  0.019387  0.607482  1
  Ta  Ta201  1  0.222484  0.127931  0.541600  1
  Ta  Ta202  1  0.740138  0.552120  0.590671  1
  Ta  Ta203  1  0.414290  0.488844  0.624057  1
  Ta  Ta204  1  0.064305  0.607264  0.557510  1
  Ta  Ta205  1  0.871253  0.830394  0.547810  1
  Ta  Ta206  1  0.547467  0.749024  0.579601  1
  Ta  Ta207  1  0.219593  0.749761  0.615104  1
  Ta  Ta208  1  0.624651  0.231622  0.627286  1
  Ta  Ta209  1  0.258960  0.351764  0.564524  1
  Ta  Ta210  1  0.933925  0.327325  0.599669  1
  Ta  Ta211  1  0.824746  0.718787  0.598773  1
  Ta  Ta212  1  0.499436  0.661308  0.628188  1
  Ta  Ta213  1  0.154620  0.774494  0.567015  1
  Ta  Ta214  1  0.651419  0.385634  0.582106  1
  Ta  Ta215  1  0.325571  0.328454  0.615207  1
  Ta  Ta216  1  0.976701  0.437248  0.549603  1
  Ta  Ta217  1  0.825484  0.215055  0.600270  1
  Ta  Ta218  1  0.482328  0.118407  0.631630  1
  Ta  Ta219  1  0.147763  0.263207  0.569529  1
  Ta  Ta220  1  0.650756  0.886704  0.582588  1
  Ta  Ta221  1  0.333527  0.819724  0.614394  1
  Ta  Ta222  1  0.981982  0.944868  0.547894  1
  Ta  Ta223  1  0.762182  0.342235  0.565570  1
  Ta  Ta224  1  0.439097  0.293883  0.598914  1
  Ta  Ta225  1  0.123019  0.215369  0.628185  1
  Ta  Ta226  1  0.733785  0.826041  0.620824  1
  Ta  Ta227  1  0.369998  0.901400  0.561343  1
  Ta  Ta228  1  0.040008  0.808517  0.582006  1
  Ta  Ta229  1  0.623373  0.609837  0.554651  1
  Ta  Ta230  1  0.295505  0.564063  0.587787  1
  Ta  Ta231  1  0.988613  0.535942  0.612903  1
  Ta  Ta232  1  0.849523  0.471352  0.623382  1
  Ta  Ta233  1  0.486147  0.536689  0.564669  1
  Ta  Ta234  1  0.175118  0.537676  0.589900  1
  Ta  Ta235  1  0.643494  0.652027  0.611815  1
  Ta  Ta236  1  0.274055  0.736243  0.552312  1
  Ta  Ta237  1  0.934414  0.675758  0.580350  1
  Ta  Ta238  1  0.865005  0.477073  0.566938  1
  Ta  Ta239  1  0.553520  0.470832  0.607835  1
  Ta  Ta240  1  0.215365  0.383826  0.624106  1
  Ta  Ta241  1  0.714118  0.104766  0.599178  1
  Ta  Ta242  1  0.358732  0.073280  0.611728  1
  Ta  Ta243  1  0.022425  0.201237  0.573095  1
  Ta  Ta244  1  0.791368  0.957112  0.574681  1
  Ta  Ta245  1  0.460857  0.890069  0.606869  1
  Ta  Ta246  1  0.103003  0.021367  0.546907  1
  Ta  Ta247  1  0.638334  0.161543  0.560032  1
  Ta  Ta248  1  0.342208  0.159510  0.561691  1
  Ta  Ta249  1  0.023594  0.017197  0.606916  1
  Ta  Ta250  1  0.816445  1.008903  0.632697  1
  Ta  Ta251  1  0.458492  0.076160  0.570945  1
  Ta  Ta252  1  0.143394  1.009086  0.599552  1
  Ta  Ta253  1  0.740913  0.346794  0.625564  1
  Ta  Ta254  1  0.376351  0.432556  0.563182  1
  Ta  Ta255  1  0.073451  0.402713  0.594939  1
  Ta  Ta256  1  0.728278  0.750179  0.558005  1
  Ta  Ta257  1  0.404969  0.679490  0.589135  1
  Ta  Ta258  1  0.094828  0.649153  0.616494  1
  Ta  Ta259  1  0.554352  0.981531  0.549691  1
  Ta  Ta260  1  0.250780  0.947799  0.576499  1
  Ta  Ta261  1  0.912135  0.887113  0.606409  1
  Ta  Ta262  1  0.927931  0.115840  0.630442  1
  Ta  Ta263  1  0.544503  0.246135  0.583307  1
  Ta  Ta264  1  0.237901  0.159072  0.603994  1
  Ta  Ta265  1  0.937118  0.932859  0.665441  1
  Ta  Ta266  1  0.611038  0.862078  0.695769  1
  Ta  Ta267  1  0.251660  0.954797  0.639525  1
  Ta  Ta268  1  0.771210  0.406146  0.682980  1
  Ta  Ta269  1  0.447261  0.324250  0.710529  1
  Ta  Ta270  1  0.096389  0.437688  0.651864  1
  Ta  Ta271  1  0.909432  0.667001  0.641778  1
  Ta  Ta272  1  0.577970  0.608287  0.667234  1
  Ta  Ta273  1  0.253134  0.571463  0.702101  1
  Ta  Ta274  1  0.664099  0.077488  0.710435  1
  Ta  Ta275  1  0.279465  0.182234  0.659225  1
  Ta  Ta276  1  0.964082  0.198334  0.689958  1
  Ta  Ta277  1  0.861887  0.565124  0.689969  1
  Ta  Ta278  1  0.558322  0.447723  0.705342  1
  Ta  Ta279  1  0.187219  0.598938  0.654834  1
  Ta  Ta280  1  0.656597  0.291587  0.685333  1
  Ta  Ta281  1  0.350398  0.149035  0.707150  1
  Ta  Ta282  1  0.011840  0.277305  0.640695  1
  Ta  Ta283  1  0.858505  0.068672  0.690331  1
  Ta  Ta284  1  0.528789  0.973660  0.720548  1
  Ta  Ta285  1  0.169503  0.067181  0.666011  1
  Ta  Ta286  1  0.686343  0.732628  0.669534  1
  Ta  Ta287  1  0.370273  0.635910  0.704950  1
  Ta  Ta288  1  0.008318  0.797969  0.636996  1
  Ta  Ta289  1  0.743212  0.163586  0.659886  1
  Ta  Ta290  1  0.462468  0.110645  0.691307  1
  Ta  Ta291  1  0.130677  0.020318  0.717373  1
  Ta  Ta292  1  0.773366  0.684261  0.706976  1
  Ta  Ta293  1  0.406474  0.734723  0.655516  1
  Ta  Ta294  1  0.051350  0.631550  0.672073  1
  Ta  Ta295  1  0.652461  0.463975  0.646377  1
  Ta  Ta296  1  0.325166  0.391827  0.682230  1
  Ta  Ta297  1  0.024592  0.404586  0.703476  1
  Ta  Ta298  1  0.883446  0.340711  0.710263  1
  Ta  Ta299  1  0.526219  0.331843  0.655731  1
  Ta  Ta300  1  0.200795  0.359420  0.679220  1
  Ta  Ta301  1  0.677329  0.529667  0.701168  1
  Ta  Ta302  1  0.309812  0.569339  0.645894  1
  Ta  Ta303  1  0.949175  0.455255  0.664103  1
  Ta  Ta304  1  0.859904  0.274600  0.657010  1
  Ta  Ta305  1  0.558222  0.218496  0.716926  1
  Ta  Ta306  1  0.227848  0.186045  0.712596  1
  Ta  Ta307  1  0.750916  0.936012  0.690133  1
  Ta  Ta308  1  0.401478  0.882406  0.708818  1
  Ta  Ta309  1  0.049278  0.052028  0.661650  1
  Ta  Ta310  1  0.828663  0.804661  0.661501  1
  Ta  Ta311  1  0.499622  0.722002  0.697199  1
  Ta  Ta312  1  0.125187  0.853568  0.638904  1
  Ta  Ta313  1  0.672349  0.984381  0.647303  1
  Ta  Ta314  1  0.371754  0.983223  0.661689  1
  Ta  Ta315  1  0.063643  0.856229  0.691040  1
  Ta  Ta316  1  0.867615  0.849109  0.714188  1
  Ta  Ta317  1  0.493174  0.910688  0.664191  1
  Ta  Ta318  1  0.177267  0.790711  0.687259  1
  Ta  Ta319  1  0.776319  0.202209  0.712834  1
  Ta  Ta320  1  0.403074  0.257778  0.656976  1
  Ta  Ta321  1  0.095661  0.230975  0.694791  1
  Ta  Ta322  1  0.765289  0.596611  0.648449  1
  Ta  Ta323  1  0.449623  0.512074  0.677362  1
  Ta  Ta324  1  0.133280  0.518834  0.705064  1
  Ta  Ta325  1  0.586173  0.822849  0.638615  1
  Ta  Ta326  1  0.294241  0.774789  0.674116  1
  Ta  Ta327  1  0.954118  0.730222  0.694515  1
  Ta  Ta328  1  0.991406  1.001251  0.714240  1
  Ta  Ta329  1  0.580260  0.087390  0.669712  1
  Ta  Ta330  1  0.264221  0.974413  0.700154  1
