# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88129509
_cell_length_b   31.86107003
_cell_length_c   51.66255598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06690885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12972.7944952
_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  0.891982  0.363652  0.317763  1
  Ta  Ta2  1  0.897953  0.038670  0.288214  1
  Ta  Ta3  1  0.897026  0.686978  0.345088  1
  Ta  Ta4  1  0.403038  0.533126  0.287917  1
  Ta  Ta5  1  0.396397  0.186441  0.346016  1
  Ta  Ta6  1  0.394421  0.856509  0.315362  1
  Ta  Ta7  1  0.828508  0.463582  0.328630  1
  Ta  Ta8  1  0.819770  0.135150  0.298289  1
  Ta  Ta9  1  0.835282  0.788573  0.355719  1
  Ta  Ta10  1  -0.012653  0.605875  0.336112  1
  Ta  Ta11  1  0.984894  0.278994  0.306960  1
  Ta  Ta12  1  -0.005355  0.956547  0.279094  1
  Ta  Ta13  1  0.667857  0.476517  0.285834  1
  Ta  Ta14  1  0.640556  0.127687  0.342158  1
  Ta  Ta15  1  0.657247  0.800125  0.311824  1
  Ta  Ta16  1  0.127312  0.585672  0.286021  1
  Ta  Ta17  1  0.141635  0.243777  0.348285  1
  Ta  Ta18  1  0.137586  0.916656  0.318352  1
  Ta  Ta19  1  0.623768  0.310519  0.306862  1
  Ta  Ta20  1  0.639137  0.978138  0.281527  1
  Ta  Ta21  1  0.642712  0.631344  0.336994  1
  Ta  Ta22  1  0.145842  0.420474  0.322712  1
  Ta  Ta23  1  0.157028  0.094792  0.294622  1
  Ta  Ta24  1  0.142370  0.745013  0.351273  1
  Ta  Ta25  1  0.486989  0.617688  0.291338  1
  Ta  Ta26  1  0.484484  0.268508  0.351665  1
  Ta  Ta27  1  0.469345  0.943052  0.322927  1
  Ta  Ta28  1  0.324334  0.406653  0.367041  1
  Ta  Ta29  1  0.332972  0.082149  0.337999  1
  Ta  Ta30  1  0.318724  0.759417  0.307951  1
  Ta  Ta31  1  0.073835  0.523188  0.330665  1
  Ta  Ta32  1  0.077312  0.192708  0.302358  1
  Ta  Ta33  1  0.068665  0.849812  0.359416  1
  Ta  Ta34  1  0.643038  0.541389  0.335426  1
  Ta  Ta35  1  0.682596  0.220113  0.308037  1
  Ta  Ta36  1  0.652572  0.864818  0.360672  1
  Ta  Ta37  1  0.063529  0.489504  0.284706  1
  Ta  Ta38  1  0.083268  0.141045  0.343101  1
  Ta  Ta39  1  0.051976  0.820552  0.312214  1
  Ta  Ta40  1  0.794423  0.558223  0.292995  1
  Ta  Ta41  1  0.832483  0.202897  0.350283  1
  Ta  Ta42  1  0.788634  0.891108  0.315976  1
  Ta  Ta43  1  0.287859  0.335090  0.318366  1
  Ta  Ta44  1  0.295501  1.008730  0.289019  1
  Ta  Ta45  1  0.332657  0.668931  0.346236  1
  Ta  Ta46  1  0.556975  0.403182  0.319833  1
  Ta  Ta47  1  0.560336  0.073658  0.292129  1
  Ta  Ta48  1  0.580245  0.732157  0.350002  1
  Ta  Ta49  1  0.137035  0.330468  0.361955  1
  Ta  Ta50  1  0.147122  1.006224  0.332534  1
  Ta  Ta51  1  0.183883  0.672828  0.302659  1
  Ta  Ta52  1  0.573349  0.349879  0.360472  1
  Ta  Ta53  1  0.570334  0.023057  0.332381  1
  Ta  Ta54  1  0.577760  0.702101  0.302021  1
  Ta  Ta55  1  0.328979  0.581515  0.333026  1
  Ta  Ta56  1  0.346003  0.248770  0.301383  1
  Ta  Ta57  1  0.335959  0.901215  0.364126  1
  Ta  Ta58  1  0.392531  0.478817  0.327334  1
  Ta  Ta59  1  0.419765  0.154428  0.298606  1
  Ta  Ta60  1  0.390084  0.804130  0.356506  1
  Ta  Ta61  1  0.889008  0.394377  0.365991  1
  Ta  Ta62  1  0.891789  0.069280  0.336685  1
  Ta  Ta63  1  0.918725  0.739699  0.305102  1
  Ta  Ta64  1  0.826460  0.292934  0.352922  1
  Ta  Ta65  1  0.837872  0.974271  0.325277  1
  Ta  Ta66  1  0.848144  0.648350  0.291300  1
  Ta  Ta67  1  0.889791  0.339457  0.407073  1
  Ta  Ta68  1  0.890272  1.013130  0.377927  1
  Ta  Ta69  1  0.895010  0.665980  0.436626  1
  Ta  Ta70  1  0.390796  0.512131  0.376292  1
  Ta  Ta71  1  0.395254  0.164801  0.437528  1
  Ta  Ta72  1  0.394412  0.838119  0.405802  1
  Ta  Ta73  1  0.826409  0.443565  0.416640  1
  Ta  Ta74  1  0.830938  0.117120  0.387418  1
  Ta  Ta75  1  0.829605  0.770010  0.446089  1
  Ta  Ta76  1  0.984121  0.583730  0.428949  1
  Ta  Ta77  1  0.983883  0.257512  0.398450  1
  Ta  Ta78  1  0.985357  0.931401  0.367272  1
  Ta  Ta79  1  0.632356  0.452781  0.371165  1
  Ta  Ta80  1  0.641632  0.106654  0.432559  1
  Ta  Ta81  1  0.643090  0.780554  0.400744  1
  Ta  Ta82  1  0.135780  0.567744  0.380174  1
  Ta  Ta83  1  0.137457  0.220704  0.442090  1
  Ta  Ta84  1  0.138786  0.895291  0.410260  1
  Ta  Ta85  1  0.635048  0.284471  0.400691  1
  Ta  Ta86  1  0.641686  0.953434  0.369917  1
  Ta  Ta87  1  0.636262  0.610758  0.431349  1
  Ta  Ta88  1  0.138146  0.397342  0.412810  1
  Ta  Ta89  1  0.143432  0.070363  0.383341  1
  Ta  Ta90  1  0.141227  0.724191  0.442109  1
  Ta  Ta91  1  0.485228  0.594650  0.382792  1
  Ta  Ta92  1  0.485241  0.247148  0.444673  1
  Ta  Ta93  1  0.486895  0.920150  0.413791  1
  Ta  Ta94  1  0.328017  0.387156  0.458178  1
  Ta  Ta95  1  0.330828  0.060746  0.428689  1
  Ta  Ta96  1  0.330486  0.734260  0.396841  1
  Ta  Ta97  1  0.075294  0.501308  0.421971  1
  Ta  Ta98  1  0.080448  0.175216  0.392135  1
  Ta  Ta99  1  0.075139  0.828314  0.451032  1
  Ta  Ta100  1  0.649758  0.522020  0.423905  1
  Ta  Ta101  1  0.651244  0.195881  0.394071  1
  Ta  Ta102  1  0.653271  0.848413  0.452612  1
  Ta  Ta103  1  0.078456  0.467531  0.372570  1
  Ta  Ta104  1  0.077857  0.120441  0.433869  1
  Ta  Ta105  1  0.076773  0.794844  0.401746  1
  Ta  Ta106  1  0.820064  0.530680  0.378885  1
  Ta  Ta107  1  0.819750  0.184704  0.439370  1
  Ta  Ta108  1  0.817316  0.860399  0.406802  1
  Ta  Ta109  1  0.317527  0.319207  0.405535  1
  Ta  Ta110  1  0.319304  0.989395  0.376151  1
  Ta  Ta111  1  0.318386  0.646012  0.435072  1
  Ta  Ta112  1  0.573421  0.383507  0.410900  1
  Ta  Ta113  1  0.575245  0.056674  0.381706  1
  Ta  Ta114  1  0.576882  0.710236  0.440825  1
  Ta  Ta115  1  0.150861  0.308958  0.451016  1
  Ta  Ta116  1  0.152960  0.983170  0.421921  1
  Ta  Ta117  1  0.151432  0.655479  0.389531  1
  Ta  Ta118  1  0.575133  0.329350  0.452580  1
  Ta  Ta119  1  0.575048  1.002155  0.422692  1
  Ta  Ta120  1  0.581199  0.676604  0.391137  1
  Ta  Ta121  1  0.332063  0.557615  0.426379  1
  Ta  Ta122  1  0.333398  0.231620  0.395732  1
  Ta  Ta123  1  0.334391  0.883409  0.456508  1
  Ta  Ta124  1  0.392020  0.457170  0.417967  1
  Ta  Ta125  1  0.395594  0.131137  0.388257  1
  Ta  Ta126  1  0.394414  0.783836  0.447501  1
  Ta  Ta127  1  0.892881  0.373240  0.456786  1
  Ta  Ta128  1  0.893820  0.047003  0.427343  1
  Ta  Ta129  1  0.896865  0.720273  0.395253  1
  Ta  Ta130  1  0.832473  0.273409  0.447101  1
  Ta  Ta131  1  0.835937  0.948164  0.417238  1
  Ta  Ta132  1  0.832607  0.619950  0.384710  1
  Ta  Ta133  1  0.894946  0.318987  0.498379  1
  Ta  Ta134  1  0.895373  0.992433  0.468825  1
  Ta  Ta135  1  0.893472  0.645373  0.527999  1
  Ta  Ta136  1  0.393794  0.490922  0.467446  1
  Ta  Ta137  1  0.395999  0.143738  0.528874  1
  Ta  Ta138  1  0.394610  0.817674  0.496900  1
  Ta  Ta139  1  0.828494  0.422667  0.507755  1
  Ta  Ta140  1  0.829566  0.096235  0.478105  1
  Ta  Ta141  1  0.827663  0.749327  0.537024  1
  Ta  Ta142  1  0.984376  0.562920  0.520801  1
  Ta  Ta143  1  0.985624  0.236612  0.490630  1
  Ta  Ta144  1  -0.014033  0.910394  0.459680  1
  Ta  Ta145  1  0.640315  0.432977  0.462152  1
  Ta  Ta146  1  0.642699  0.085821  0.523573  1
  Ta  Ta147  1  0.641096  0.759679  0.491590  1
  Ta  Ta148  1  0.135728  0.546508  0.472431  1
  Ta  Ta149  1  0.137948  0.199437  0.534017  1
  Ta  Ta150  1  0.136548  0.873150  0.502253  1
  Ta  Ta151  1  0.636578  0.263662  0.493216  1
  Ta  Ta152  1  0.637671  0.936680  0.462865  1
  Ta  Ta153  1  0.635281  0.589892  0.523285  1
  Ta  Ta154  1  0.141685  0.376857  0.503791  1
  Ta  Ta155  1  0.142477  0.050334  0.474129  1
  Ta  Ta156  1  0.140260  0.703334  0.533058  1
  Ta  Ta157  1  0.484302  0.573405  0.474855  1
  Ta  Ta158  1  0.486272  0.226133  0.536550  1
  Ta  Ta159  1  0.485387  0.899862  0.505567  1
  Ta  Ta160  1  0.329927  0.366564  0.549393  1
  Ta  Ta161  1  0.329646  0.039964  0.519596  1
  Ta  Ta162  1  0.328247  0.713752  0.487635  1
  Ta  Ta163  1  0.075221  0.480537  0.513153  1
  Ta  Ta164  1  0.076463  0.154178  0.483243  1
  Ta  Ta165  1  0.075191  0.807268  0.542302  1
  Ta  Ta166  1  0.652505  0.501273  0.514976  1
  Ta  Ta167  1  0.653827  0.174993  0.484972  1
  Ta  Ta168  1  0.651028  0.828098  0.543739  1
  Ta  Ta169  1  0.074790  0.446824  0.463588  1
  Ta  Ta170  1  0.076906  0.099793  0.525007  1
  Ta  Ta171  1  0.075533  0.773628  0.492830  1
  Ta  Ta172  1  0.817087  0.511361  0.469291  1
  Ta  Ta173  1  0.818853  0.164363  0.530693  1
  Ta  Ta174  1  0.817459  0.838397  0.498250  1
  Ta  Ta175  1  0.317602  0.298262  0.496546  1
  Ta  Ta176  1  0.318466  0.971493  0.467183  1
  Ta  Ta177  1  0.316074  0.624548  0.526346  1
  Ta  Ta178  1  0.575554  0.362947  0.502319  1
  Ta  Ta179  1  0.576704  0.036307  0.472509  1
  Ta  Ta180  1  0.574217  0.689434  0.531901  1
  Ta  Ta181  1  0.153309  0.288189  0.542235  1
  Ta  Ta182  1  0.153482  0.961227  0.512872  1
  Ta  Ta183  1  0.151911  0.635170  0.480591  1
  Ta  Ta184  1  0.576575  0.308620  0.544060  1
  Ta  Ta185  1  0.576171  0.982034  0.514184  1
  Ta  Ta186  1  0.574828  0.655795  0.482451  1
  Ta  Ta187  1  0.333526  0.535868  0.518240  1
  Ta  Ta188  1  0.334680  0.209672  0.488077  1
  Ta  Ta189  1  0.332360  0.863311  0.548312  1
  Ta  Ta190  1  0.394595  0.436584  0.509203  1
  Ta  Ta191  1  0.395773  0.110158  0.479354  1
  Ta  Ta192  1  0.392961  0.763317  0.538515  1
  Ta  Ta193  1  0.895461  0.352720  0.547961  1
  Ta  Ta194  1  0.895442  0.025970  0.518370  1
  Ta  Ta195  1  0.893825  0.699802  0.486226  1
  Ta  Ta196  1  0.834775  0.252998  0.539062  1
  Ta  Ta197  1  0.834153  0.926518  0.508874  1
  Ta  Ta198  1  0.832739  0.600101  0.477338  1
  Ta  Ta199  1  0.895442  0.298246  0.589563  1
  Ta  Ta200  1  0.896099  0.971311  0.560195  1
  Ta  Ta201  1  0.887667  0.624586  0.619144  1
  Ta  Ta202  1  0.394776  0.470214  0.558924  1
  Ta  Ta203  1  0.391479  0.122847  0.620217  1
  Ta  Ta204  1  0.392667  0.797646  0.588131  1
  Ta  Ta205  1  0.831963  0.402291  0.598735  1
  Ta  Ta206  1  0.830590  0.075338  0.569174  1
  Ta  Ta207  1  0.824842  0.729221  0.627557  1
  Ta  Ta208  1  0.984900  0.542229  0.612980  1
  Ta  Ta209  1  -0.012834  0.215795  0.582466  1
  Ta  Ta210  1  0.984757  0.889294  0.551452  1
  Ta  Ta211  1  0.642050  0.412391  0.553354  1
  Ta  Ta212  1  0.642825  0.065204  0.614468  1
  Ta  Ta213  1  0.637481  0.739020  0.582379  1
  Ta  Ta214  1  0.137248  0.526216  0.564395  1
  Ta  Ta215  1  0.139736  0.179612  0.626617  1
  Ta  Ta216  1  0.133529  0.851459  0.594067  1
  Ta  Ta217  1  0.638771  0.242030  0.585057  1
  Ta  Ta218  1  0.637048  0.916038  0.554680  1
  Ta  Ta219  1  0.634922  0.568273  0.615698  1
  Ta  Ta220  1  0.143999  0.356030  0.594921  1
  Ta  Ta221  1  0.141978  0.029605  0.565161  1
  Ta  Ta222  1  0.136780  0.682634  0.623786  1
  Ta  Ta223  1  0.484289  0.552445  0.566743  1
  Ta  Ta224  1  0.486685  0.204832  0.628595  1
  Ta  Ta225  1  0.483251  0.879732  0.597437  1
  Ta  Ta226  1  0.338444  0.346856  0.640372  1
  Ta  Ta227  1  0.330307  0.018897  0.610440  1
  Ta  Ta228  1  0.327028  0.692920  0.578573  1
  Ta  Ta229  1  0.079846  0.460228  0.604456  1
  Ta  Ta230  1  0.076642  0.133502  0.574698  1
  Ta  Ta231  1  0.078855  0.786759  0.633236  1
  Ta  Ta232  1  0.652313  0.480579  0.605977  1
  Ta  Ta233  1  0.653495  0.153618  0.576291  1
  Ta  Ta234  1  0.643256  0.809622  0.633510  1
  Ta  Ta235  1  0.077301  0.426306  0.554764  1
  Ta  Ta236  1  0.076465  0.079024  0.616103  1
  Ta  Ta237  1  0.075127  0.752622  0.583797  1
  Ta  Ta238  1  0.819158  0.490519  0.560473  1
  Ta  Ta239  1  0.821383  0.143883  0.621801  1
  Ta  Ta240  1  0.817007  0.816633  0.588854  1
  Ta  Ta241  1  0.320915  0.277450  0.587616  1
  Ta  Ta242  1  0.318694  0.951528  0.558465  1
  Ta  Ta243  1  0.316536  0.603663  0.617333  1
  Ta  Ta244  1  0.578358  0.342435  0.593562  1
  Ta  Ta245  1  0.577533  1.015811  0.563620  1
  Ta  Ta246  1  0.571615  0.668609  0.622976  1
  Ta  Ta247  1  0.150843  0.268978  0.632637  1
  Ta  Ta248  1  0.153347  0.938968  0.604145  1
  Ta  Ta249  1  0.149268  0.614935  0.571931  1
  Ta  Ta250  1  0.580379  0.287420  0.635184  1
  Ta  Ta251  1  0.580515  0.961511  0.605233  1
  Ta  Ta252  1  0.573671  0.634801  0.573784  1
  Ta  Ta253  1  0.334567  0.515091  0.610733  1
  Ta  Ta254  1  0.335291  0.188674  0.579998  1
  Ta  Ta255  1  0.325116  0.847109  0.641543  1
  Ta  Ta256  1  0.396730  0.416137  0.600652  1
  Ta  Ta257  1  0.395119  0.089300  0.570489  1
  Ta  Ta258  1  0.391218  0.742988  0.629213  1
  Ta  Ta259  1  0.892015  0.332146  0.638973  1
  Ta  Ta260  1  0.897026  1.004528  0.609670  1
  Ta  Ta261  1  0.890861  0.679183  0.577270  1
  Ta  Ta262  1  0.835665  0.231702  0.631236  1
  Ta  Ta263  1  0.832449  0.904070  0.601122  1
  Ta  Ta264  1  0.831658  0.578829  0.569276  1
  Ta  Ta265  1  0.897824  0.276327  0.680776  1
  Ta  Ta266  1  0.904220  0.948983  0.652235  1
  Ta  Ta267  1  0.889564  0.607873  0.708902  1
  Ta  Ta268  1  0.396299  0.450020  0.651058  1
  Ta  Ta269  1  0.396793  0.097323  0.709208  1
  Ta  Ta270  1  0.392363  0.777618  0.678177  1
  Ta  Ta271  1  0.824625  0.379364  0.688830  1
  Ta  Ta272  1  0.832932  0.054302  0.660035  1
  Ta  Ta273  1  0.808704  0.705880  0.716239  1
  Ta  Ta274  1  0.983463  0.521366  0.704393  1
  Ta  Ta275  1  0.985241  0.193584  0.675218  1
  Ta  Ta276  1  0.983170  0.867859  0.644318  1
  Ta  Ta277  1  0.645838  0.393143  0.644509  1
  Ta  Ta278  1  0.656722  0.040000  0.703287  1
  Ta  Ta279  1  0.631177  0.717881  0.672943  1
  Ta  Ta280  1  0.142616  0.507180  0.658472  1
  Ta  Ta281  1  0.125367  0.150976  0.719998  1
  Ta  Ta282  1  0.123539  0.826269  0.687263  1
  Ta  Ta283  1  0.643183  0.217953  0.678347  1
  Ta  Ta284  1  0.640888  0.896529  0.647830  1
  Ta  Ta285  1  0.621618  0.551713  0.710039  1
  Ta  Ta286  1  0.142212  0.336190  0.682887  1
  Ta  Ta287  1  0.139075  1.009530  0.655848  1
  Ta  Ta288  1  0.145173  0.666117  0.713118  1
  Ta  Ta289  1  0.483835  0.531580  0.659811  1
  Ta  Ta290  1  0.486090  0.181653  0.720016  1
  Ta  Ta291  1  0.501121  0.856683  0.687951  1
  Ta  Ta292  1  0.304114  0.322775  0.725562  1
  Ta  Ta293  1  0.320865  0.999493  0.699358  1
  Ta  Ta294  1  0.324533  0.672404  0.669105  1
  Ta  Ta295  1  0.077370  0.436533  0.693655  1
  Ta  Ta296  1  0.076750  0.112404  0.666205  1
  Ta  Ta297  1  0.061279  0.764491  0.722694  1
  Ta  Ta298  1  0.681104  0.465058  0.693118  1
  Ta  Ta299  1  0.640417  0.130422  0.665074  1
  Ta  Ta300  1  0.674324  0.791227  0.720246  1
  Ta  Ta301  1  0.081372  0.405355  0.645539  1
  Ta  Ta302  1  0.056720  0.059525  0.706131  1
  Ta  Ta303  1  0.073592  0.731476  0.674777  1
  Ta  Ta304  1  0.832628  0.469320  0.649562  1
  Ta  Ta305  1  0.790192  0.126507  0.708607  1
  Ta  Ta306  1  0.814363  0.793329  0.675858  1
  Ta  Ta307  1  0.328811  0.258150  0.675973  1
  Ta  Ta308  1  0.329364  0.935651  0.648829  1
  Ta  Ta309  1  0.284663  0.580456  0.703390  1
  Ta  Ta310  1  0.578712  0.320872  0.684132  1
  Ta  Ta311  1  0.587017  0.995275  0.654679  1
  Ta  Ta312  1  0.545473  0.646427  0.712731  1
  Ta  Ta313  1  0.177895  0.241127  0.718392  1
  Ta  Ta314  1  0.191197  0.911226  0.691843  1
  Ta  Ta315  1  0.134485  0.597239  0.661131  1
  Ta  Ta316  1  0.569287  0.266251  0.723436  1
  Ta  Ta317  1  0.584094  0.942490  0.695565  1
  Ta  Ta318  1  0.571006  0.613776  0.665413  1
  Ta  Ta319  1  0.344968  0.489715  0.704577  1
  Ta  Ta320  1  0.330148  0.168078  0.674343  1
  Ta  Ta321  1  0.333942  0.821972  0.729111  1
  Ta  Ta322  1  0.413044  0.396657  0.691679  1
  Ta  Ta323  1  0.392865  0.066925  0.661221  1
  Ta  Ta324  1  0.402256  0.727729  0.718619  1
  Ta  Ta325  1  0.908266  0.309947  0.726725  1
  Ta  Ta326  1  0.923011  0.978634  0.699434  1
  Ta  Ta327  1  0.883922  0.659390  0.668086  1
  Ta  Ta328  1  0.845301  0.213673  0.725325  1
  Ta  Ta329  1  0.842835  0.880657  0.696368  1
  Ta  Ta330  1  0.826169  0.556243  0.663074  1
