# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88421635
_cell_length_b   32.80462894
_cell_length_c   50.01852318
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06490199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12936.7221058
_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  0.063717  0.977053  0.293029  1
  Ta  Ta2  1  0.075841  0.628215  0.320589  1
  Ta  Ta3  1  0.068341  0.286026  0.349751  1
  Ta  Ta4  1  0.613721  0.160417  0.278693  1
  Ta  Ta5  1  0.579725  0.804833  0.307591  1
  Ta  Ta6  1  0.579104  0.456578  0.337890  1
  Ta  Ta7  1  0.981325  0.056268  0.303978  1
  Ta  Ta8  1  -0.006680  0.706833  0.334759  1
  Ta  Ta9  1  0.986581  0.362515  0.364398  1
  Ta  Ta10  1  0.131603  0.190060  0.333855  1
  Ta  Ta11  1  0.147547  0.836663  0.361404  1
  Ta  Ta12  1  0.155231  0.534294  0.306435  1
  Ta  Ta13  1  0.823361  0.056269  0.351512  1
  Ta  Ta14  1  0.851506  0.756094  0.294241  1
  Ta  Ta15  1  0.849032  0.412224  0.324485  1
  Ta  Ta16  1  0.326447  0.212030  0.290557  1
  Ta  Ta17  1  0.326942  0.859806  0.317471  1
  Ta  Ta18  1  0.339157  0.512368  0.349007  1
  Ta  Ta19  1  0.794939  0.924578  0.286006  1
  Ta  Ta20  1  0.817078  0.575586  0.311729  1
  Ta  Ta21  1  0.827396  0.229240  0.339837  1
  Ta  Ta22  1  0.326742  0.032378  0.300061  1
  Ta  Ta23  1  0.335415  0.683237  0.329753  1
  Ta  Ta24  1  0.330893  0.335433  0.358309  1
  Ta  Ta25  1  0.634793  0.899176  0.327802  1
  Ta  Ta26  1  0.640995  0.554954  0.356635  1
  Ta  Ta27  1  0.656766  0.249344  0.296367  1
  Ta  Ta28  1  0.481159  0.034978  0.348523  1
  Ta  Ta29  1  0.494293  0.725124  0.291083  1
  Ta  Ta30  1  0.470582  0.383142  0.320836  1
  Ta  Ta31  1  0.293455  0.123668  0.312425  1
  Ta  Ta32  1  0.335200  0.763649  0.349512  1
  Ta  Ta33  1  0.298589  0.454393  0.294595  1
  Ta  Ta34  1  0.882226  0.131910  0.321791  1
  Ta  Ta35  1  0.899804  0.783327  0.350252  1
  Ta  Ta36  1  0.903061  0.480317  0.294380  1
  Ta  Ta37  1  0.151722  0.089748  0.357360  1
  Ta  Ta38  1  0.183946  0.779608  0.305414  1
  Ta  Ta39  1  0.149140  0.443209  0.339343  1
  Ta  Ta40  1  0.937239  0.192833  0.288665  1
  Ta  Ta41  1  0.906855  0.844032  0.313694  1
  Ta  Ta42  1  0.891518  0.500959  0.345638  1
  Ta  Ta43  1  0.397693  0.938308  0.286039  1
  Ta  Ta44  1  0.414016  0.590830  0.315168  1
  Ta  Ta45  1  0.387400  0.242902  0.342056  1
  Ta  Ta46  1  0.663680  1.000703  0.300128  1
  Ta  Ta47  1  0.653134  0.649416  0.332717  1
  Ta  Ta48  1  0.641075  0.298788  0.353450  1
  Ta  Ta49  1  0.395754  0.956897  0.335927  1
  Ta  Ta50  1  0.392937  0.609320  0.367322  1
  Ta  Ta51  1  0.389790  0.303605  0.306021  1
  Ta  Ta52  1  0.825259  0.970608  0.340515  1
  Ta  Ta53  1  0.807975  0.671846  0.290036  1
  Ta  Ta54  1  0.783579  0.332632  0.311633  1
  Ta  Ta55  1  0.571313  0.175553  0.329162  1
  Ta  Ta56  1  0.581509  0.825381  0.359255  1
  Ta  Ta57  1  0.565875  0.515082  0.302025  1
  Ta  Ta58  1  0.613627  0.085985  0.307007  1
  Ta  Ta59  1  0.647009  0.732424  0.338000  1
  Ta  Ta60  1  0.635646  0.426929  0.283603  1
  Ta  Ta61  1  0.132025  1.007273  0.343316  1
  Ta  Ta62  1  0.143232  0.700826  0.285268  1
  Ta  Ta63  1  0.131791  0.363427  0.312219  1
  Ta  Ta64  1  0.076966  0.913977  0.327064  1
  Ta  Ta65  1  0.086203  0.567203  0.358222  1
  Ta  Ta66  1  0.057691  0.269553  0.298904  1
  Ta  Ta67  1  0.082637  0.935785  0.380585  1
  Ta  Ta68  1  0.085317  0.589232  0.412980  1
  Ta  Ta69  1  0.078052  0.244524  0.441176  1
  Ta  Ta70  1  0.573212  0.111389  0.363554  1
  Ta  Ta71  1  0.587677  0.763396  0.396915  1
  Ta  Ta72  1  0.579676  0.416869  0.428626  1
  Ta  Ta73  1  0.983155  1.013765  0.394427  1
  Ta  Ta74  1  -0.011856  0.666669  0.427477  1
  Ta  Ta75  1  0.985983  0.321210  0.457447  1
  Ta  Ta76  1  0.138327  0.146067  0.422188  1
  Ta  Ta77  1  0.142922  0.798775  0.453379  1
  Ta  Ta78  1  0.143888  0.491619  0.394553  1
  Ta  Ta79  1  0.832215  0.018032  0.445213  1
  Ta  Ta80  1  0.832439  0.707377  0.384651  1
  Ta  Ta81  1  0.836744  0.366197  0.416967  1
  Ta  Ta82  1  0.324284  0.165254  0.376167  1
  Ta  Ta83  1  0.334021  0.817667  0.407617  1
  Ta  Ta84  1  0.333081  0.471837  0.440093  1
  Ta  Ta85  1  0.838019  0.880011  0.370026  1
  Ta  Ta86  1  0.832752  0.535020  0.402544  1
  Ta  Ta87  1  0.828706  0.189468  0.430262  1
  Ta  Ta88  1  0.331388  0.990775  0.390217  1
  Ta  Ta89  1  0.335433  0.643672  0.422915  1
  Ta  Ta90  1  0.333129  0.297414  0.451818  1
  Ta  Ta91  1  0.644021  0.861690  0.415806  1
  Ta  Ta92  1  0.643138  0.515413  0.448208  1
  Ta  Ta93  1  0.636897  0.209311  0.385081  1
  Ta  Ta94  1  0.485236  0.994408  0.440829  1
  Ta  Ta95  1  0.486808  0.687030  0.381591  1
  Ta  Ta96  1  0.487940  0.340600  0.411186  1
  Ta  Ta97  1  0.316396  0.073566  0.405811  1
  Ta  Ta98  1  0.323085  0.725993  0.439720  1
  Ta  Ta99  1  0.326887  0.414953  0.380330  1
  Ta  Ta100  1  0.892972  0.090727  0.409972  1
  Ta  Ta101  1  0.895078  0.743920  0.442557  1
  Ta  Ta102  1  0.889182  0.437508  0.383055  1
  Ta  Ta103  1  0.150372  0.052400  0.452030  1
  Ta  Ta104  1  0.150517  0.743565  0.393546  1
  Ta  Ta105  1  0.151885  0.399288  0.426354  1
  Ta  Ta106  1  0.891953  0.152932  0.373853  1
  Ta  Ta107  1  0.898307  0.805004  0.404497  1
  Ta  Ta108  1  0.895070  0.459264  0.436959  1
  Ta  Ta109  1  0.393544  0.894028  0.372796  1
  Ta  Ta110  1  0.398738  0.547958  0.405312  1
  Ta  Ta111  1  0.392435  0.201900  0.433142  1
  Ta  Ta112  1  0.647703  0.955239  0.385257  1
  Ta  Ta113  1  0.653512  0.609547  0.416996  1
  Ta  Ta114  1  0.648305  0.262500  0.444443  1
  Ta  Ta115  1  0.393317  0.916607  0.426383  1
  Ta  Ta116  1  0.394501  0.570071  0.458955  1
  Ta  Ta117  1  0.386363  0.264016  0.395826  1
  Ta  Ta118  1  0.823783  0.934500  0.430102  1
  Ta  Ta119  1  0.838110  0.622662  0.371831  1
  Ta  Ta120  1  0.819326  0.284740  0.399129  1
  Ta  Ta121  1  0.575294  0.133059  0.418375  1
  Ta  Ta122  1  0.579917  0.785982  0.450709  1
  Ta  Ta123  1  0.578197  0.478562  0.391326  1
  Ta  Ta124  1  0.634283  0.039494  0.399239  1
  Ta  Ta125  1  0.638298  0.692113  0.432577  1
  Ta  Ta126  1  0.644812  0.381481  0.368701  1
  Ta  Ta127  1  0.137524  0.969766  0.436121  1
  Ta  Ta128  1  0.141351  0.662222  0.375597  1
  Ta  Ta129  1  0.138407  0.319177  0.405506  1
  Ta  Ta130  1  0.080313  0.874160  0.418401  1
  Ta  Ta131  1  0.079525  0.527993  0.451013  1
  Ta  Ta132  1  0.072931  0.222881  0.387726  1
  Ta  Ta133  1  0.081079  0.896930  0.472104  1
  Ta  Ta134  1  0.081013  0.550213  0.504845  1
  Ta  Ta135  1  0.080221  0.204327  0.532350  1
  Ta  Ta136  1  0.578986  0.071510  0.456008  1
  Ta  Ta137  1  0.581584  0.724599  0.488790  1
  Ta  Ta138  1  0.580575  0.377512  0.520132  1
  Ta  Ta139  1  0.986015  0.974409  0.486836  1
  Ta  Ta140  1  0.987376  0.627501  0.519816  1
  Ta  Ta141  1  0.986083  0.280607  0.549432  1
  Ta  Ta142  1  0.141544  0.106261  0.513018  1
  Ta  Ta143  1  0.141329  0.759688  0.545005  1
  Ta  Ta144  1  0.142606  0.452043  0.485632  1
  Ta  Ta145  1  0.834482  0.978903  0.537673  1
  Ta  Ta146  1  0.834831  0.671134  0.478214  1
  Ta  Ta147  1  0.834321  0.324709  0.509058  1
  Ta  Ta148  1  0.329489  0.125887  0.467319  1
  Ta  Ta149  1  0.331159  0.779188  0.499226  1
  Ta  Ta150  1  0.331981  0.432358  0.531187  1
  Ta  Ta151  1  0.832265  0.842210  0.461553  1
  Ta  Ta152  1  0.831870  0.495614  0.493864  1
  Ta  Ta153  1  0.830474  0.149761  0.521263  1
  Ta  Ta154  1  0.334677  0.950152  0.482120  1
  Ta  Ta155  1  0.335640  0.603112  0.515092  1
  Ta  Ta156  1  0.333578  0.257257  0.544022  1
  Ta  Ta157  1  0.642601  0.822728  0.507343  1
  Ta  Ta158  1  0.642699  0.475998  0.539479  1
  Ta  Ta159  1  0.640363  0.169446  0.475709  1
  Ta  Ta160  1  0.486690  0.954514  0.532863  1
  Ta  Ta161  1  0.487291  0.647380  0.473808  1
  Ta  Ta162  1  0.486274  0.300877  0.503420  1
  Ta  Ta163  1  0.320405  0.032823  0.498189  1
  Ta  Ta164  1  0.322238  0.685986  0.530881  1
  Ta  Ta165  1  0.323036  0.378302  0.471547  1
  Ta  Ta166  1  0.892413  0.051677  0.501958  1
  Ta  Ta167  1  0.892442  0.704983  0.534474  1
  Ta  Ta168  1  0.892435  0.397465  0.474577  1
  Ta  Ta169  1  0.150546  1.013547  0.544158  1
  Ta  Ta170  1  0.151237  0.705617  0.485177  1
  Ta  Ta171  1  0.151343  0.358461  0.517078  1
  Ta  Ta172  1  0.893771  0.113129  0.464223  1
  Ta  Ta173  1  0.895852  0.766383  0.496422  1
  Ta  Ta174  1  0.895836  0.419613  0.528280  1
  Ta  Ta175  1  0.396458  0.854958  0.464156  1
  Ta  Ta176  1  0.396375  0.508358  0.496761  1
  Ta  Ta177  1  0.394825  0.162462  0.524473  1
  Ta  Ta178  1  0.651331  0.915975  0.475719  1
  Ta  Ta179  1  0.652936  0.569068  0.508535  1
  Ta  Ta180  1  0.650566  0.223463  0.535749  1
  Ta  Ta181  1  0.392249  0.877313  0.517797  1
  Ta  Ta182  1  0.393536  0.530437  0.550731  1
  Ta  Ta183  1  0.391611  0.224212  0.486859  1
  Ta  Ta184  1  0.822431  0.896343  0.521452  1
  Ta  Ta185  1  0.823714  0.588306  0.462595  1
  Ta  Ta186  1  0.820920  0.243297  0.490000  1
  Ta  Ta187  1  0.576813  0.093521  0.510026  1
  Ta  Ta188  1  0.577211  0.746932  0.542421  1
  Ta  Ta189  1  0.578603  0.439342  0.482557  1
  Ta  Ta190  1  0.637709  0.998840  0.491627  1
  Ta  Ta191  1  0.638802  0.651743  0.524530  1
  Ta  Ta192  1  0.639510  0.344362  0.462714  1
  Ta  Ta193  1  0.139039  0.930750  0.528379  1
  Ta  Ta194  1  0.139756  0.623032  0.469018  1
  Ta  Ta195  1  0.138088  0.277163  0.497798  1
  Ta  Ta196  1  0.077844  0.835533  0.510145  1
  Ta  Ta197  1  0.078646  0.488743  0.542584  1
  Ta  Ta198  1  0.076356  0.182235  0.478587  1
  Ta  Ta199  1  0.078850  0.857927  0.564028  1
  Ta  Ta200  1  0.078505  0.511318  0.596774  1
  Ta  Ta201  1  0.086046  0.164235  0.623744  1
  Ta  Ta202  1  0.579819  0.031820  0.547806  1
  Ta  Ta203  1  0.579929  0.685307  0.580224  1
  Ta  Ta204  1  0.582484  0.337903  0.611255  1
  Ta  Ta205  1  0.986583  0.935156  0.579154  1
  Ta  Ta206  1  -0.011159  0.588208  0.612288  1
  Ta  Ta207  1  -0.011876  0.239905  0.641889  1
  Ta  Ta208  1  0.142820  0.066801  0.604333  1
  Ta  Ta209  1  0.135262  0.721780  0.636563  1
  Ta  Ta210  1  0.142669  0.412423  0.576542  1
  Ta  Ta211  1  0.834599  0.939641  0.631046  1
  Ta  Ta212  1  0.835492  0.632172  0.570512  1
  Ta  Ta213  1  0.832694  0.283025  0.601208  1
  Ta  Ta214  1  0.331294  0.086465  0.558677  1
  Ta  Ta215  1  0.329276  0.740169  0.590760  1
  Ta  Ta216  1  0.332407  0.392730  0.621832  1
  Ta  Ta217  1  0.830808  0.803100  0.553189  1
  Ta  Ta218  1  0.833090  0.455845  0.584539  1
  Ta  Ta219  1  0.830956  0.110321  0.612575  1
  Ta  Ta220  1  0.335673  0.909788  0.574066  1
  Ta  Ta221  1  0.337264  0.562653  0.607483  1
  Ta  Ta222  1  0.330965  0.220240  0.637836  1
  Ta  Ta223  1  0.639667  0.784100  0.598944  1
  Ta  Ta224  1  0.645095  0.436874  0.630434  1
  Ta  Ta225  1  0.641517  0.129844  0.566844  1
  Ta  Ta226  1  0.487870  0.914548  0.624974  1
  Ta  Ta227  1  0.487635  0.607517  0.565859  1
  Ta  Ta228  1  0.485016  0.261221  0.595624  1
  Ta  Ta229  1  0.322034  0.992434  0.589636  1
  Ta  Ta230  1  0.325214  0.646838  0.621392  1
  Ta  Ta231  1  0.322535  0.338922  0.562728  1
  Ta  Ta232  1  0.889890  1.012545  0.593752  1
  Ta  Ta233  1  0.890098  0.666159  0.626055  1
  Ta  Ta234  1  0.893683  0.357320  0.565709  1
  Ta  Ta235  1  0.138634  0.978945  0.634804  1
  Ta  Ta236  1  0.149551  0.667294  0.576479  1
  Ta  Ta237  1  0.152429  0.317243  0.608225  1
  Ta  Ta238  1  0.894949  0.073854  0.555855  1
  Ta  Ta239  1  0.893223  0.727674  0.588163  1
  Ta  Ta240  1  0.896581  0.379322  0.619011  1
  Ta  Ta241  1  0.393782  0.815883  0.555839  1
  Ta  Ta242  1  0.395739  0.468935  0.588364  1
  Ta  Ta243  1  0.398772  0.123203  0.615742  1
  Ta  Ta244  1  0.650749  0.875753  0.566873  1
  Ta  Ta245  1  0.655103  0.528332  0.600941  1
  Ta  Ta246  1  0.654000  0.187813  0.628339  1
  Ta  Ta247  1  0.386102  0.838274  0.609632  1
  Ta  Ta248  1  0.397448  0.490918  0.643106  1
  Ta  Ta249  1  0.395387  0.184845  0.578571  1
  Ta  Ta250  1  0.823054  0.858376  0.613157  1
  Ta  Ta251  1  0.822006  0.549501  0.554759  1
  Ta  Ta252  1  0.821699  0.202227  0.581038  1
  Ta  Ta253  1  0.577239  0.053863  0.601513  1
  Ta  Ta254  1  0.579491  0.707840  0.633816  1
  Ta  Ta255  1  0.578527  0.399933  0.573785  1
  Ta  Ta256  1  0.639614  0.958025  0.583721  1
  Ta  Ta257  1  0.641245  0.611119  0.616477  1
  Ta  Ta258  1  0.638422  0.304684  0.554980  1
  Ta  Ta259  1  0.141858  0.894194  0.621992  1
  Ta  Ta260  1  0.140259  0.583817  0.561489  1
  Ta  Ta261  1  0.137189  0.235864  0.589609  1
  Ta  Ta262  1  0.075073  0.796819  0.602065  1
  Ta  Ta263  1  0.077604  0.449318  0.632846  1
  Ta  Ta264  1  0.079148  0.142572  0.569921  1
  Ta  Ta265  1  0.073961  0.818244  0.656336  1
  Ta  Ta266  1  0.087639  0.470228  0.684866  1
  Ta  Ta267  1  0.080491  0.118143  0.712242  1
  Ta  Ta268  1  0.582301  0.992126  0.639272  1
  Ta  Ta269  1  0.576853  0.645137  0.670779  1
  Ta  Ta270  1  0.572797  0.299020  0.701237  1
  Ta  Ta271  1  0.981585  0.894600  0.671912  1
  Ta  Ta272  1  -0.009627  0.545621  0.702963  1
  Ta  Ta273  1  0.970619  0.193228  0.727872  1
  Ta  Ta274  1  0.160802  0.024941  0.694845  1
  Ta  Ta275  1  0.177706  0.677423  0.720730  1
  Ta  Ta276  1  0.140279  0.374779  0.667046  1
  Ta  Ta277  1  0.830937  0.901239  0.721455  1
  Ta  Ta278  1  0.840494  0.594869  0.663471  1
  Ta  Ta279  1  0.830517  0.241463  0.691555  1
  Ta  Ta280  1  0.336924  0.046577  0.650203  1
  Ta  Ta281  1  0.337912  0.702736  0.678907  1
  Ta  Ta282  1  0.304550  0.352941  0.710724  1
  Ta  Ta283  1  0.826077  0.764992  0.645177  1
  Ta  Ta284  1  0.834094  0.412115  0.672867  1
  Ta  Ta285  1  0.821156  0.066621  0.700937  1
  Ta  Ta286  1  0.327402  0.868910  0.668633  1
  Ta  Ta287  1  0.357576  0.516116  0.699677  1
  Ta  Ta288  1  0.328510  0.174873  0.723957  1
  Ta  Ta289  1  0.646489  0.742016  0.689143  1
  Ta  Ta290  1  0.637096  0.390238  0.716361  1
  Ta  Ta291  1  0.640014  0.089019  0.658202  1
  Ta  Ta292  1  0.480180  0.876570  0.715516  1
  Ta  Ta293  1  0.489677  0.567302  0.658176  1
  Ta  Ta294  1  0.500391  0.218725  0.686634  1
  Ta  Ta295  1  0.322517  0.951729  0.673969  1
  Ta  Ta296  1  0.308297  0.601320  0.706638  1
  Ta  Ta297  1  0.319503  0.302436  0.655304  1
  Ta  Ta298  1  0.899821  0.973008  0.686117  1
  Ta  Ta299  1  0.908734  0.624918  0.713745  1
  Ta  Ta300  1  0.902205  0.316600  0.656919  1
  Ta  Ta301  1  0.166994  0.929527  0.716709  1
  Ta  Ta302  1  0.147661  0.631319  0.666126  1
  Ta  Ta303  1  0.176742  0.266307  0.698035  1
  Ta  Ta304  1  0.889648  0.033880  0.648550  1
  Ta  Ta305  1  0.896220  0.687871  0.679613  1
  Ta  Ta306  1  0.907348  0.333304  0.707721  1
  Ta  Ta307  1  0.391450  0.776311  0.647359  1
  Ta  Ta308  1  0.399897  0.427152  0.677538  1
  Ta  Ta309  1  0.413726  0.085079  0.705084  1
  Ta  Ta310  1  0.638234  0.837382  0.656997  1
  Ta  Ta311  1  0.677835  0.478189  0.694938  1
  Ta  Ta312  1  0.671570  0.146949  0.714385  1
  Ta  Ta313  1  0.393783  0.796774  0.699109  1
  Ta  Ta314  1  0.348947  0.441430  0.727840  1
  Ta  Ta315  1  0.401790  0.144241  0.669432  1
  Ta  Ta316  1  0.789713  0.822342  0.701221  1
  Ta  Ta317  1  0.817800  0.512464  0.649692  1
  Ta  Ta318  1  0.829760  0.158175  0.670406  1
  Ta  Ta319  1  0.564026  1.009639  0.691590  1
  Ta  Ta320  1  0.575016  0.663609  0.720671  1
  Ta  Ta321  1  0.577504  0.359213  0.664873  1
  Ta  Ta322  1  0.640488  0.917713  0.676598  1
  Ta  Ta323  1  0.645251  0.569574  0.706573  1
  Ta  Ta324  1  0.633969  0.268805  0.648211  1
  Ta  Ta325  1  0.122419  0.845501  0.712466  1
  Ta  Ta326  1  0.147334  0.545738  0.655297  1
  Ta  Ta327  1  0.133512  0.189234  0.680489  1
  Ta  Ta328  1  0.066227  0.757772  0.692996  1
  Ta  Ta329  1  0.021515  0.410631  0.718544  1
  Ta  Ta330  1  0.085362  0.099960  0.660635  1
