# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67584753
_cell_length_b   32.44295692
_cell_length_c   52.20524217
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06695516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   13000.5159257
_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  -0.008138  0.621233  0.331992  1
  Ta  Ta2  1  0.979482  0.290188  0.301895  1
  Ta  Ta3  1  0.921488  0.964996  0.279918  1
  Ta  Ta4  1  0.527415  0.476596  0.273724  1
  Ta  Ta5  1  0.476740  0.119409  0.332042  1
  Ta  Ta6  1  0.501295  0.797597  0.301952  1
  Ta  Ta7  1  0.888894  0.374637  0.305012  1
  Ta  Ta8  1  0.885132  0.049914  0.276621  1
  Ta  Ta9  1  0.902459  0.703204  0.335556  1
  Ta  Ta10  1  0.049226  0.518920  0.324802  1
  Ta  Ta11  1  0.050900  0.190918  0.294695  1
  Ta  Ta12  1  0.060326  0.840926  0.353571  1
  Ta  Ta13  1  0.734581  0.388275  0.351268  1
  Ta  Ta14  1  0.737613  0.065399  0.322257  1
  Ta  Ta15  1  0.766650  0.743353  0.291331  1
  Ta  Ta16  1  0.246636  0.530356  0.280704  1
  Ta  Ta17  1  0.231553  0.177905  0.338312  1
  Ta  Ta18  1  0.250158  0.854345  0.310166  1
  Ta  Ta19  1  0.740005  0.563047  0.327585  1
  Ta  Ta20  1  0.719581  0.232208  0.298408  1
  Ta  Ta21  1  0.742996  0.886950  0.357781  1
  Ta  Ta22  1  0.239964  0.349811  0.302123  1
  Ta  Ta23  1  0.230037  1.019183  0.273366  1
  Ta  Ta24  1  0.248590  0.679552  0.332010  1
  Ta  Ta25  1  0.576102  0.569931  0.282518  1
  Ta  Ta26  1  0.541582  0.224054  0.342657  1
  Ta  Ta27  1  0.591912  0.902045  0.310220  1
  Ta  Ta28  1  0.382380  0.366578  0.349730  1
  Ta  Ta29  1  0.389762  0.038184  0.321397  1
  Ta  Ta30  1  0.403239  0.714466  0.290113  1
  Ta  Ta31  1  0.204360  0.444919  0.310446  1
  Ta  Ta32  1  0.184777  0.105831  0.287453  1
  Ta  Ta33  1  0.241942  0.764325  0.347794  1
  Ta  Ta34  1  0.799472  0.456489  0.317489  1
  Ta  Ta35  1  0.791820  0.133595  0.287413  1
  Ta  Ta36  1  0.811465  0.783226  0.347015  1
  Ta  Ta37  1  0.064736  0.424739  0.357425  1
  Ta  Ta38  1  0.049634  0.101833  0.332999  1
  Ta  Ta39  1  0.103459  0.770602  0.302318  1
  Ta  Ta40  1  0.854133  0.511545  0.280464  1
  Ta  Ta41  1  0.793489  0.164673  0.335995  1
  Ta  Ta42  1  0.832615  0.834938  0.306773  1
  Ta  Ta43  1  0.309774  0.577303  0.327816  1
  Ta  Ta44  1  0.314004  0.251506  0.299495  1
  Ta  Ta45  1  0.312844  0.901859  0.357796  1
  Ta  Ta46  1  0.578134  0.316200  0.306419  1
  Ta  Ta47  1  0.575406  0.994454  0.280072  1
  Ta  Ta48  1  0.564274  0.639616  0.336270  1
  Ta  Ta49  1  0.317618  0.629168  0.286968  1
  Ta  Ta50  1  0.297669  0.283149  0.347201  1
  Ta  Ta51  1  0.302980  0.954045  0.314524  1
  Ta  Ta52  1  0.719488  0.300154  0.350907  1
  Ta  Ta53  1  0.725844  0.978993  0.324887  1
  Ta  Ta54  1  0.706539  0.654407  0.291575  1
  Ta  Ta55  1  0.486198  0.502960  0.321037  1
  Ta  Ta56  1  0.455487  0.172233  0.292191  1
  Ta  Ta57  1  0.495167  0.828086  0.350548  1
  Ta  Ta58  1  0.525947  0.405550  0.304679  1
  Ta  Ta59  1  0.519744  0.080080  0.277251  1
  Ta  Ta60  1  0.555197  0.727887  0.336137  1
  Ta  Ta61  1  0.035249  0.338083  0.347591  1
  Ta  Ta62  1  0.047125  1.015370  0.319454  1
  Ta  Ta63  1  0.044487  0.684949  0.286055  1
  Ta  Ta64  1  0.980881  0.590915  0.283974  1
  Ta  Ta65  1  0.979122  0.237944  0.342917  1
  Ta  Ta66  1  0.982890  0.910922  0.317258  1
  Ta  Ta67  1  -0.009393  0.596780  0.422204  1
  Ta  Ta68  1  0.983660  0.270756  0.392305  1
  Ta  Ta69  1  -0.007749  0.945316  0.364297  1
  Ta  Ta70  1  0.484796  0.446388  0.359990  1
  Ta  Ta71  1  0.484456  0.097419  0.422203  1
  Ta  Ta72  1  0.495024  0.772742  0.391773  1
  Ta  Ta73  1  0.889511  0.353137  0.396782  1
  Ta  Ta74  1  0.896668  0.027855  0.368843  1
  Ta  Ta75  1  0.894967  0.678776  0.428495  1
  Ta  Ta76  1  0.050386  0.492811  0.411802  1
  Ta  Ta77  1  0.046391  0.167252  0.383398  1
  Ta  Ta78  1  0.056605  0.818609  0.443661  1
  Ta  Ta79  1  0.737752  0.365158  0.444161  1
  Ta  Ta80  1  0.739868  0.039400  0.416062  1
  Ta  Ta81  1  0.744602  0.714622  0.383285  1
  Ta  Ta82  1  0.239517  0.504297  0.367461  1
  Ta  Ta83  1  0.234848  0.155761  0.428082  1
  Ta  Ta84  1  0.244499  0.830317  0.398671  1
  Ta  Ta85  1  0.738652  0.538642  0.416888  1
  Ta  Ta86  1  0.730992  0.212821  0.387509  1
  Ta  Ta87  1  0.742637  0.863957  0.448354  1
  Ta  Ta88  1  0.233964  0.331350  0.394634  1
  Ta  Ta89  1  0.245663  1.002201  0.364982  1
  Ta  Ta90  1  0.239998  0.657091  0.426313  1
  Ta  Ta91  1  0.552970  0.550275  0.372191  1
  Ta  Ta92  1  0.546801  0.201373  0.432566  1
  Ta  Ta93  1  0.557999  0.875656  0.403190  1
  Ta  Ta94  1  0.388680  0.341946  0.443035  1
  Ta  Ta95  1  0.396382  1.015430  0.414414  1
  Ta  Ta96  1  0.397832  0.691226  0.382372  1
  Ta  Ta97  1  0.225839  0.417171  0.403616  1
  Ta  Ta98  1  0.225718  0.087694  0.376429  1
  Ta  Ta99  1  0.234805  0.742827  0.435917  1
  Ta  Ta100  1  0.800472  0.434409  0.405470  1
  Ta  Ta101  1  0.795253  0.109481  0.377076  1
  Ta  Ta102  1  0.806866  0.760451  0.437300  1
  Ta  Ta103  1  0.062548  0.402439  0.448551  1
  Ta  Ta104  1  0.053937  0.080084  0.420914  1
  Ta  Ta105  1  0.064332  0.752239  0.391536  1
  Ta  Ta106  1  0.806941  0.489872  0.365808  1
  Ta  Ta107  1  0.798881  0.141657  0.426594  1
  Ta  Ta108  1  0.811605  0.815803  0.396563  1
  Ta  Ta109  1  0.306225  0.553182  0.417910  1
  Ta  Ta110  1  0.300346  0.227728  0.388266  1
  Ta  Ta111  1  0.312080  0.878594  0.449738  1
  Ta  Ta112  1  0.553949  0.290892  0.395686  1
  Ta  Ta113  1  0.559701  0.962958  0.367437  1
  Ta  Ta114  1  0.559855  0.616668  0.425007  1
  Ta  Ta115  1  0.303966  0.608859  0.377206  1
  Ta  Ta116  1  0.297763  0.259460  0.437625  1
  Ta  Ta117  1  0.304820  0.933307  0.408394  1
  Ta  Ta118  1  0.721270  0.278228  0.440324  1
  Ta  Ta119  1  0.735664  0.952443  0.411393  1
  Ta  Ta120  1  0.732244  0.627672  0.380643  1
  Ta  Ta121  1  0.485205  0.478703  0.409998  1
  Ta  Ta122  1  0.476904  0.152495  0.381434  1
  Ta  Ta123  1  0.491120  0.804407  0.441735  1
  Ta  Ta124  1  0.542395  0.377842  0.397595  1
  Ta  Ta125  1  0.547590  0.050940  0.369108  1
  Ta  Ta126  1  0.550364  0.703624  0.429991  1
  Ta  Ta127  1  0.040908  0.316163  0.440989  1
  Ta  Ta128  1  0.053958  0.993871  0.412693  1
  Ta  Ta129  1  0.051659  0.667564  0.379258  1
  Ta  Ta130  1  0.986392  0.565154  0.373023  1
  Ta  Ta131  1  0.979958  0.215664  0.433501  1
  Ta  Ta132  1  -0.009569  0.889906  0.404510  1
  Ta  Ta133  1  -0.009450  0.572760  0.512327  1
  Ta  Ta134  1  0.985520  0.247685  0.483002  1
  Ta  Ta135  1  -0.007416  0.921624  0.454042  1
  Ta  Ta136  1  0.487744  0.423414  0.450712  1
  Ta  Ta137  1  0.486409  0.074139  0.512441  1
  Ta  Ta138  1  0.495053  0.749014  0.482516  1
  Ta  Ta139  1  0.891238  0.329801  0.489148  1
  Ta  Ta140  1  0.895945  1.003791  0.460595  1
  Ta  Ta141  1  0.888734  0.654154  0.520301  1
  Ta  Ta142  1  0.052142  0.470054  0.501739  1
  Ta  Ta143  1  0.049107  0.144243  0.473080  1
  Ta  Ta144  1  0.058661  0.795630  0.533585  1
  Ta  Ta145  1  0.739588  0.341580  0.536994  1
  Ta  Ta146  1  0.739378  1.014675  0.508227  1
  Ta  Ta147  1  0.739763  0.688748  0.476435  1
  Ta  Ta148  1  0.237410  0.480920  0.456667  1
  Ta  Ta149  1  0.235130  0.132089  0.517844  1
  Ta  Ta150  1  0.243326  0.806641  0.488442  1
  Ta  Ta151  1  0.736727  0.515482  0.506674  1
  Ta  Ta152  1  0.734124  0.189757  0.477448  1
  Ta  Ta153  1  0.746571  0.840923  0.538094  1
  Ta  Ta154  1  0.237315  0.306892  0.487508  1
  Ta  Ta155  1  0.245842  0.978816  0.458851  1
  Ta  Ta156  1  0.236184  0.633931  0.518491  1
  Ta  Ta157  1  0.551380  0.526170  0.461658  1
  Ta  Ta158  1  0.548530  0.177819  0.522310  1
  Ta  Ta159  1  0.557862  0.851981  0.493457  1
  Ta  Ta160  1  0.393167  0.318051  0.535268  1
  Ta  Ta161  1  0.394804  0.991852  0.506588  1
  Ta  Ta162  1  0.392176  0.667463  0.474543  1
  Ta  Ta163  1  0.226681  0.393382  0.494041  1
  Ta  Ta164  1  0.223608  0.065628  0.464930  1
  Ta  Ta165  1  0.233055  0.721481  0.525360  1
  Ta  Ta166  1  0.801334  0.411932  0.496047  1
  Ta  Ta167  1  0.799435  0.086207  0.467349  1
  Ta  Ta168  1  0.809410  0.736962  0.528181  1
  Ta  Ta169  1  0.060755  0.380403  0.538770  1
  Ta  Ta170  1  0.057850  0.055090  0.509977  1
  Ta  Ta171  1  0.066641  0.726381  0.480215  1
  Ta  Ta172  1  0.806493  0.466328  0.455064  1
  Ta  Ta173  1  0.802333  0.117703  0.516798  1
  Ta  Ta174  1  0.813967  0.791430  0.486960  1
  Ta  Ta175  1  0.308344  0.530427  0.508250  1
  Ta  Ta176  1  0.302795  0.204464  0.478620  1
  Ta  Ta177  1  0.314358  0.855869  0.540825  1
  Ta  Ta178  1  0.558145  0.267542  0.485480  1
  Ta  Ta179  1  0.569199  0.942081  0.456467  1
  Ta  Ta180  1  0.561728  0.595769  0.514599  1
  Ta  Ta181  1  0.304517  0.584825  0.467311  1
  Ta  Ta182  1  0.298986  0.235946  0.528112  1
  Ta  Ta183  1  0.306789  0.909879  0.499568  1
  Ta  Ta184  1  0.726423  0.255023  0.530118  1
  Ta  Ta185  1  0.731632  0.928088  0.501445  1
  Ta  Ta186  1  0.726911  0.602141  0.469189  1
  Ta  Ta187  1  0.484270  0.455449  0.500411  1
  Ta  Ta188  1  0.479716  0.129531  0.471691  1
  Ta  Ta189  1  0.495074  0.781652  0.532157  1
  Ta  Ta190  1  0.545123  0.354394  0.490584  1
  Ta  Ta191  1  0.546020  0.028830  0.462244  1
  Ta  Ta192  1  0.544381  0.681964  0.523078  1
  Ta  Ta193  1  0.045566  0.293638  0.533851  1
  Ta  Ta194  1  0.049854  0.967978  0.505151  1
  Ta  Ta195  1  0.043620  0.640098  0.471891  1
  Ta  Ta196  1  0.985850  0.540539  0.462832  1
  Ta  Ta197  1  0.981765  0.192203  0.523752  1
  Ta  Ta198  1  -0.009261  0.866382  0.494928  1
  Ta  Ta199  1  -0.007795  0.549956  0.603557  1
  Ta  Ta200  1  0.985523  0.224631  0.573240  1
  Ta  Ta201  1  -0.006174  0.898527  0.544581  1
  Ta  Ta202  1  0.488547  0.400109  0.541460  1
  Ta  Ta203  1  0.486754  0.051616  0.603194  1
  Ta  Ta204  1  0.498552  0.726580  0.572933  1
  Ta  Ta205  1  0.891961  0.306464  0.581483  1
  Ta  Ta206  1  0.890248  0.979480  0.552462  1
  Ta  Ta207  1  0.879253  0.631098  0.612155  1
  Ta  Ta208  1  0.053177  0.447263  0.591762  1
  Ta  Ta209  1  0.048726  0.120814  0.562866  1
  Ta  Ta210  1  0.103591  0.794928  0.627123  1
  Ta  Ta211  1  0.736970  0.317758  0.632109  1
  Ta  Ta212  1  0.734127  0.989594  0.600178  1
  Ta  Ta213  1  0.731590  0.663425  0.568972  1
  Ta  Ta214  1  0.238110  0.457988  0.546683  1
  Ta  Ta215  1  0.234057  0.109538  0.607767  1
  Ta  Ta216  1  0.245664  0.784982  0.578584  1
  Ta  Ta217  1  0.738423  0.492659  0.596693  1
  Ta  Ta218  1  0.735592  0.166347  0.567216  1
  Ta  Ta219  1  0.759615  0.816837  0.630017  1
  Ta  Ta220  1  0.238014  0.282850  0.580316  1
  Ta  Ta221  1  0.243435  0.956146  0.551531  1
  Ta  Ta222  1  0.231616  0.612590  0.610580  1
  Ta  Ta223  1  0.550498  0.502716  0.551652  1
  Ta  Ta224  1  0.548939  0.155299  0.612164  1
  Ta  Ta225  1  0.568017  0.824746  0.581939  1
  Ta  Ta226  1  0.393670  0.294696  0.627817  1
  Ta  Ta227  1  0.388343  0.968632  0.598842  1
  Ta  Ta228  1  0.382927  0.645399  0.566638  1
  Ta  Ta229  1  0.232957  0.369908  0.583155  1
  Ta  Ta230  1  0.221581  0.043604  0.554845  1
  Ta  Ta231  1  0.197078  0.713753  0.613298  1
  Ta  Ta232  1  0.800088  0.388990  0.586975  1
  Ta  Ta233  1  0.800403  0.062453  0.557674  1
  Ta  Ta234  1  0.816175  0.714638  0.618409  1
  Ta  Ta235  1  0.048291  0.358824  0.625721  1
  Ta  Ta236  1  0.057766  0.030373  0.599549  1
  Ta  Ta237  1  0.067318  0.697112  0.567536  1
  Ta  Ta238  1  0.806246  0.443394  0.545638  1
  Ta  Ta239  1  0.803802  0.094797  0.606678  1
  Ta  Ta240  1  0.840715  0.765989  0.578439  1
  Ta  Ta241  1  0.309692  0.507780  0.598243  1
  Ta  Ta242  1  0.301258  0.180746  0.568966  1
  Ta  Ta243  1  0.411718  0.839083  0.631407  1
  Ta  Ta244  1  0.554334  0.243286  0.574290  1
  Ta  Ta245  1  0.571483  0.919917  0.547729  1
  Ta  Ta246  1  0.558878  0.574205  0.604476  1
  Ta  Ta247  1  0.307430  0.562148  0.557655  1
  Ta  Ta248  1  0.298682  0.213391  0.618427  1
  Ta  Ta249  1  0.306596  0.884326  0.591758  1
  Ta  Ta250  1  0.728502  0.233143  0.618319  1
  Ta  Ta251  1  0.716306  0.901227  0.593670  1
  Ta  Ta252  1  0.719880  0.577707  0.558945  1
  Ta  Ta253  1  0.485569  0.432416  0.591070  1
  Ta  Ta254  1  0.480909  0.106457  0.561892  1
  Ta  Ta255  1  0.505453  0.757487  0.622637  1
  Ta  Ta256  1  0.549473  0.329065  0.583954  1
  Ta  Ta257  1  0.540988  1.006720  0.554664  1
  Ta  Ta258  1  0.513949  0.664947  0.616581  1
  Ta  Ta259  1  0.046024  0.270846  0.626935  1
  Ta  Ta260  1  0.039865  0.940158  0.596261  1
  Ta  Ta261  1  0.035220  0.612529  0.563680  1
  Ta  Ta262  1  0.986558  0.517335  0.553428  1
  Ta  Ta263  1  0.981739  0.169723  0.614189  1
  Ta  Ta264  1  0.984319  0.844267  0.584761  1
  Ta  Ta265  1  -0.003463  0.523087  0.693442  1
  Ta  Ta266  1  0.985510  0.203281  0.663725  1
  Ta  Ta267  1  -0.002965  0.876267  0.637522  1
  Ta  Ta268  1  0.491358  0.376944  0.632046  1
  Ta  Ta269  1  0.483009  0.032235  0.694407  1
  Ta  Ta270  1  0.496695  0.700781  0.664791  1
  Ta  Ta271  1  0.887820  0.283387  0.674479  1
  Ta  Ta272  1  0.908961  0.961825  0.643611  1
  Ta  Ta273  1  0.889887  0.606417  0.704645  1
  Ta  Ta274  1  0.076711  0.422447  0.682837  1
  Ta  Ta275  1  0.046642  0.100302  0.653099  1
  Ta  Ta276  1  0.082849  0.752249  0.716512  1
  Ta  Ta277  1  0.761347  0.299918  0.722306  1
  Ta  Ta278  1  0.733565  0.969778  0.690854  1
  Ta  Ta279  1  0.763776  0.644495  0.662885  1
  Ta  Ta280  1  0.241847  0.434867  0.636586  1
  Ta  Ta281  1  0.224021  0.089864  0.697289  1
  Ta  Ta282  1  0.250004  0.760984  0.669947  1
  Ta  Ta283  1  0.740189  0.466496  0.685304  1
  Ta  Ta284  1  0.735505  0.145993  0.657193  1
  Ta  Ta285  1  0.742427  0.783111  0.718901  1
  Ta  Ta286  1  0.243777  0.258029  0.674515  1
  Ta  Ta287  1  0.250639  0.933836  0.643440  1
  Ta  Ta288  1  0.256621  0.580288  0.703133  1
  Ta  Ta289  1  0.555278  0.480225  0.641765  1
  Ta  Ta290  1  0.559355  0.131020  0.700875  1
  Ta  Ta291  1  0.592524  0.784835  0.673419  1
  Ta  Ta292  1  0.408000  0.266995  0.721070  1
  Ta  Ta293  1  0.379887  0.947187  0.690216  1
  Ta  Ta294  1  0.417422  0.615946  0.659695  1
  Ta  Ta295  1  0.220762  0.345873  0.667205  1
  Ta  Ta296  1  0.219583  0.025430  0.645242  1
  Ta  Ta297  1  0.163766  0.669407  0.701318  1
  Ta  Ta298  1  0.812313  0.366868  0.679449  1
  Ta  Ta299  1  0.802733  0.041828  0.648082  1
  Ta  Ta300  1  0.798500  0.697990  0.705829  1
  Ta  Ta301  1  0.115120  0.324518  0.712514  1
  Ta  Ta302  1  0.078600  1.003866  0.688738  1
  Ta  Ta303  1  0.106091  0.671207  0.653115  1
  Ta  Ta304  1  0.806832  0.420000  0.637463  1
  Ta  Ta305  1  0.819453  0.069815  0.696150  1
  Ta  Ta306  1  0.898917  0.740980  0.664951  1
  Ta  Ta307  1  0.330094  0.486200  0.687743  1
  Ta  Ta308  1  0.302668  0.159032  0.659487  1
  Ta  Ta309  1  0.371662  0.808297  0.713668  1
  Ta  Ta310  1  0.558228  0.224024  0.662865  1
  Ta  Ta311  1  0.610113  0.910094  0.642423  1
  Ta  Ta312  1  0.596021  0.552050  0.693057  1
  Ta  Ta313  1  0.310133  0.538224  0.647575  1
  Ta  Ta314  1  0.300355  0.187547  0.708292  1
  Ta  Ta315  1  0.294167  0.862203  0.676251  1
  Ta  Ta316  1  0.696180  0.215657  0.708304  1
  Ta  Ta317  1  0.665018  0.866992  0.685022  1
  Ta  Ta318  1  0.739033  0.554739  0.647806  1
  Ta  Ta319  1  0.475783  0.407753  0.680605  1
  Ta  Ta320  1  0.484129  0.085650  0.652953  1
  Ta  Ta321  1  0.447829  0.726087  0.715492  1
  Ta  Ta322  1  0.533084  0.311454  0.681313  1
  Ta  Ta323  1  0.532270  0.990763  0.647930  1
  Ta  Ta324  1  0.530813  0.639046  0.708497  1
  Ta  Ta325  1  0.033744  0.241384  0.719034  1
  Ta  Ta326  1  -0.005292  0.912247  0.686040  1
  Ta  Ta327  1  0.050264  0.589732  0.658883  1
  Ta  Ta328  1  -0.006987  0.492991  0.644264  1
  Ta  Ta329  1  0.962004  0.149520  0.703248  1
  Ta  Ta330  1  0.979901  0.820323  0.683573  1
