# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52704818
_cell_length_b   25.49445012
_cell_length_c   48.38679102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93758940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12986.102409
_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  0.278327  0.330463  0.354589  1
  Ta  Ta2  1  0.271500  0.609100  0.300744  1
  Ta  Ta3  1  0.261866  0.962972  0.333203  1
  Ta  Ta4  1  0.743719  0.422966  0.289033  1
  Ta  Ta5  1  0.753157  0.785842  0.313099  1
  Ta  Ta6  1  0.745524  0.145848  0.346738  1
  Ta  Ta7  1  0.586690  0.340597  0.358596  1
  Ta  Ta8  1  0.577384  0.629185  0.299335  1
  Ta  Ta9  1  0.568602  0.982189  0.323760  1
  Ta  Ta10  1  0.980936  0.216158  0.275123  1
  Ta  Ta11  1  1.012496  0.582175  0.303018  1
  Ta  Ta12  1  0.021248  0.934155  0.333862  1
  Ta  Ta13  1  0.547668  0.351768  0.306108  1
  Ta  Ta14  1  0.581323  0.717041  0.330524  1
  Ta  Ta15  1  0.578963  0.070289  0.363029  1
  Ta  Ta16  1  0.922860  0.572591  0.356035  1
  Ta  Ta17  1  0.915044  0.867972  0.293290  1
  Ta  Ta18  1  0.924242  0.212751  0.328691  1
  Ta  Ta19  1  0.103392  0.399624  0.341847  1
  Ta  Ta20  1  0.114266  0.686642  0.280539  1
  Ta  Ta21  1  0.089957  0.040312  0.313477  1
  Ta  Ta22  1  0.446355  0.539923  0.319123  1
  Ta  Ta23  1  0.448696  0.894103  0.345399  1
  Ta  Ta24  1  0.460625  0.162680  0.288530  1
  Ta  Ta25  1  0.994044  0.385523  0.294393  1
  Ta  Ta26  1  1.000747  0.759503  0.317490  1
  Ta  Ta27  1  1.006700  0.117973  0.354518  1
  Ta  Ta28  1  0.464831  0.453255  0.286439  1
  Ta  Ta29  1  0.447119  0.809594  0.311192  1
  Ta  Ta30  1  0.435655  0.157509  0.343313  1
  Ta  Ta31  1  0.744237  0.550803  0.309131  1
  Ta  Ta32  1  0.757525  0.908157  0.339762  1
  Ta  Ta33  1  0.727541  0.189874  0.287644  1
  Ta  Ta34  1  0.818475  0.391433  0.345942  1
  Ta  Ta35  1  0.840397  0.672504  0.291412  1
  Ta  Ta36  1  0.827509  0.025529  0.341276  1
  Ta  Ta37  1  0.623747  0.590345  0.356293  1
  Ta  Ta38  1  0.634549  0.883581  0.295048  1
  Ta  Ta39  1  0.608975  0.237289  0.329306  1
  Ta  Ta40  1  0.809232  0.303615  0.309877  1
  Ta  Ta41  1  0.810123  0.663749  0.342468  1
  Ta  Ta42  1  0.833042  0.982051  0.292262  1
  Ta  Ta43  1  0.202433  0.488064  0.318925  1
  Ta  Ta44  1  0.218510  0.842576  0.358184  1
  Ta  Ta45  1  0.182715  0.155062  0.307055  1
  Ta  Ta46  1  0.398307  0.422230  0.341606  1
  Ta  Ta47  1  0.399121  0.702564  0.284826  1
  Ta  Ta48  1  0.375491  0.055039  0.311681  1
  Ta  Ta49  1  0.195741  0.567776  0.358640  1
  Ta  Ta50  1  0.183945  0.852164  0.305982  1
  Ta  Ta51  1  0.183614  0.221033  0.349622  1
  Ta  Ta52  1  0.274239  0.373668  0.297068  1
  Ta  Ta53  1  0.262135  0.736250  0.326657  1
  Ta  Ta54  1  0.259716  0.087510  0.359167  1
  Ta  Ta55  1  0.926307  0.480492  0.322668  1
  Ta  Ta56  1  0.940234  0.838724  0.352722  1
  Ta  Ta57  1  0.905198  0.109365  0.298388  1
  Ta  Ta58  1  0.626597  0.462723  0.333560  1
  Ta  Ta59  1  0.628071  0.820718  0.359330  1
  Ta  Ta60  1  0.640896  0.083845  0.304547  1
  Ta  Ta61  1  0.368003  0.260615  0.312464  1
  Ta  Ta62  1  0.396798  0.644927  0.345564  1
  Ta  Ta63  1  0.385913  0.926212  0.288920  1
  Ta  Ta64  1  0.105356  0.289024  0.308143  1
  Ta  Ta65  1  0.084358  0.661273  0.337404  1
  Ta  Ta66  1  0.112755  0.949937  0.280497  1
  Ta  Ta67  1  0.262890  0.386788  0.451334  1
  Ta  Ta68  1  0.261088  0.676632  0.390147  1
  Ta  Ta69  1  0.260764  0.029684  0.423966  1
  Ta  Ta70  1  0.760677  0.499511  0.375917  1
  Ta  Ta71  1  0.761501  0.855977  0.404676  1
  Ta  Ta72  1  0.755433  0.218042  0.437727  1
  Ta  Ta73  1  0.581366  0.408301  0.448333  1
  Ta  Ta74  1  0.584896  0.695858  0.386781  1
  Ta  Ta75  1  0.598016  0.051499  0.420870  1
  Ta  Ta76  1  0.992360  0.307749  0.360387  1
  Ta  Ta77  1  1.010620  0.650269  0.394169  1
  Ta  Ta78  1  0.026337  -0.002915  0.431398  1
  Ta  Ta79  1  0.580100  0.429236  0.391924  1
  Ta  Ta80  1  0.585515  0.783711  0.420558  1
  Ta  Ta81  1  0.586165  0.141746  0.453957  1
  Ta  Ta82  1  0.931286  0.639738  0.449742  1
  Ta  Ta83  1  0.914664  0.935480  0.387275  1
  Ta  Ta84  1  0.926246  0.289025  0.421286  1
  Ta  Ta85  1  0.097601  0.463276  0.435087  1
  Ta  Ta86  1  0.095819  0.751640  0.372951  1
  Ta  Ta87  1  0.073016  0.102433  0.410084  1
  Ta  Ta88  1  0.441949  0.607403  0.406296  1
  Ta  Ta89  1  0.452298  0.963356  0.436684  1
  Ta  Ta90  1  0.432282  0.257283  0.375209  1
  Ta  Ta91  1  1.010304  0.473429  0.378829  1
  Ta  Ta92  1  1.013955  0.829111  0.409795  1
  Ta  Ta93  1  0.015740  0.187348  0.443354  1
  Ta  Ta94  1  0.442061  0.520245  0.373687  1
  Ta  Ta95  1  0.449873  0.875454  0.402334  1
  Ta  Ta96  1  0.434741  0.231267  0.434835  1
  Ta  Ta97  1  0.759687  0.623099  0.401509  1
  Ta  Ta98  1  0.755398  0.970048  0.436344  1
  Ta  Ta99  1  0.757036  0.260636  0.374114  1
  Ta  Ta100  1  0.824782  0.459110  0.437980  1
  Ta  Ta101  1  0.825482  0.749021  0.374183  1
  Ta  Ta102  1  0.798159  0.139068  0.403259  1
  Ta  Ta103  1  0.626901  0.657730  0.446984  1
  Ta  Ta104  1  0.638101  0.955123  0.383970  1
  Ta  Ta105  1  0.617746  0.304959  0.417992  1
  Ta  Ta106  1  0.816214  0.378220  0.401909  1
  Ta  Ta107  1  0.823307  0.731464  0.430011  1
  Ta  Ta108  1  0.837468  0.042026  0.393987  1
  Ta  Ta109  1  0.201786  0.556428  0.416077  1
  Ta  Ta110  1  0.219057  0.909207  0.449049  1
  Ta  Ta111  1  0.247984  0.178790  0.395410  1
  Ta  Ta112  1  0.397405  0.480293  0.432601  1
  Ta  Ta113  1  0.404041  0.768364  0.371303  1
  Ta  Ta114  1  0.405680  0.107470  0.407544  1
  Ta  Ta115  1  0.202496  0.636493  0.453007  1
  Ta  Ta116  1  0.194690  0.923137  0.393380  1
  Ta  Ta117  1  0.192234  0.277700  0.413455  1
  Ta  Ta118  1  0.260627  0.450247  0.385450  1
  Ta  Ta119  1  0.268443  0.802406  0.417087  1
  Ta  Ta120  1  0.269489  0.153888  0.451399  1
  Ta  Ta121  1  0.931653  0.549532  0.416325  1
  Ta  Ta122  1  0.939239  0.902661  0.447693  1
  Ta  Ta123  1  0.979346  0.206270  0.387147  1
  Ta  Ta124  1  0.625470  0.533055  0.422064  1
  Ta  Ta125  1  0.624938  0.883254  0.453085  1
  Ta  Ta126  1  0.576146  0.180169  0.392627  1
  Ta  Ta127  1  0.393019  0.357301  0.405850  1
  Ta  Ta128  1  0.400461  0.710758  0.436219  1
  Ta  Ta129  1  0.399259  -0.003683  0.377265  1
  Ta  Ta130  1  0.092802  0.374027  0.400478  1
  Ta  Ta131  1  0.094788  0.728145  0.431610  1
  Ta  Ta132  1  0.089830  0.014263  0.372423  1
  Ta  Ta133  1  0.269917  0.455453  0.543514  1
  Ta  Ta134  1  0.265199  0.742002  0.482453  1
  Ta  Ta135  1  0.267633  0.101876  0.515005  1
  Ta  Ta136  1  0.763136  0.565684  0.467464  1
  Ta  Ta137  1  0.761124  0.920897  0.497631  1
  Ta  Ta138  1  0.764196  0.278282  0.529350  1
  Ta  Ta139  1  0.583288  0.474417  0.538975  1
  Ta  Ta140  1  0.586115  0.763165  0.477660  1
  Ta  Ta141  1  0.580469  0.120896  0.510930  1
  Ta  Ta142  1  1.011210  0.364012  0.457225  1
  Ta  Ta143  1  1.011978  0.718219  0.486046  1
  Ta  Ta144  1  0.017311  0.075088  0.521056  1
  Ta  Ta145  1  0.583638  0.495151  0.482172  1
  Ta  Ta146  1  0.580275  0.851280  0.513495  1
  Ta  Ta147  1  0.586328  0.208140  0.544313  1
  Ta  Ta148  1  0.933263  0.709668  0.539952  1
  Ta  Ta149  1  0.925865  -0.001795  0.483874  1
  Ta  Ta150  1  0.930510  0.354235  0.513508  1
  Ta  Ta151  1  0.101504  0.530351  0.526913  1
  Ta  Ta152  1  0.100745  0.818547  0.466220  1
  Ta  Ta153  1  0.098834  0.177343  0.499001  1
  Ta  Ta154  1  0.449169  0.672374  0.496215  1
  Ta  Ta155  1  0.443286  0.030141  0.529408  1
  Ta  Ta156  1  0.446339  0.319326  0.468361  1
  Ta  Ta157  1  1.015209  0.540251  0.472159  1
  Ta  Ta158  1  1.014561  0.896606  0.503515  1
  Ta  Ta159  1  1.014653  0.253418  0.535075  1
  Ta  Ta160  1  0.443930  0.585267  0.462826  1
  Ta  Ta161  1  0.448877  0.942008  0.493535  1
  Ta  Ta162  1  0.445924  0.298390  0.525062  1
  Ta  Ta163  1  0.761787  0.691377  0.492138  1
  Ta  Ta164  1  0.764305  0.051376  0.524610  1
  Ta  Ta165  1  0.759781  0.338464  0.463773  1
  Ta  Ta166  1  0.829695  0.525989  0.533145  1
  Ta  Ta167  1  0.828595  0.812787  0.465613  1
  Ta  Ta168  1  0.827318  0.166931  0.496890  1
  Ta  Ta169  1  0.625310  0.728702  0.537470  1
  Ta  Ta170  1  0.631780  0.016926  0.480010  1
  Ta  Ta171  1  0.629558  0.371273  0.509759  1
  Ta  Ta172  1  0.826814  0.447238  0.494657  1
  Ta  Ta173  1  0.825650  0.801640  0.521290  1
  Ta  Ta174  1  0.834468  0.086557  0.454864  1
  Ta  Ta175  1  0.201788  0.626765  0.510400  1
  Ta  Ta176  1  0.200522  0.980564  0.541416  1
  Ta  Ta177  1  0.200408  0.267492  0.474548  1
  Ta  Ta178  1  0.402834  0.548047  0.523064  1
  Ta  Ta179  1  0.401093  0.833664  0.463615  1
  Ta  Ta180  1  0.401113  0.194781  0.494802  1
  Ta  Ta181  1  0.194699  0.706817  0.552459  1
  Ta  Ta182  1  0.203544  -0.008451  0.485756  1
  Ta  Ta183  1  0.202685  0.346668  0.512678  1
  Ta  Ta184  1  0.265730  0.515433  0.477904  1
  Ta  Ta185  1  0.268069  0.872367  0.509384  1
  Ta  Ta186  1  0.266569  0.227653  0.539739  1
  Ta  Ta187  1  0.930284  0.615974  0.508370  1
  Ta  Ta188  1  0.928361  0.974738  0.540810  1
  Ta  Ta189  1  0.928189  0.263470  0.480448  1
  Ta  Ta190  1  0.628790  0.598528  0.512553  1
  Ta  Ta191  1  0.628166  0.959659  0.543398  1
  Ta  Ta192  1  0.626757  0.245674  0.484238  1
  Ta  Ta193  1  0.400300  0.422506  0.497573  1
  Ta  Ta194  1  0.397492  0.776319  0.527080  1
  Ta  Ta195  1  0.404000  0.064533  0.469660  1
  Ta  Ta196  1  0.098941  0.439686  0.493894  1
  Ta  Ta197  1  0.103486  0.795026  0.523196  1
  Ta  Ta198  1  0.096250  0.083574  0.467226  1
  Ta  Ta199  1  0.271975  0.533419  0.633539  1
  Ta  Ta200  1  0.273660  0.823442  0.570665  1
  Ta  Ta201  1  0.269817  0.170138  0.605615  1
  Ta  Ta202  1  0.759989  0.639516  0.556030  1
  Ta  Ta203  1  0.760785  -0.009045  0.589926  1
  Ta  Ta204  1  0.769134  0.343354  0.621554  1
  Ta  Ta205  1  0.596241  0.535792  0.632790  1
  Ta  Ta206  1  0.576919  0.830047  0.570354  1
  Ta  Ta207  1  0.588035  0.185880  0.600807  1
  Ta  Ta208  1  0.018696  0.429795  0.550244  1
  Ta  Ta209  1  1.002474  0.796373  0.575625  1
  Ta  Ta210  1  0.018823  0.143053  0.612926  1
  Ta  Ta211  1  0.594971  0.562187  0.572743  1
  Ta  Ta212  1  0.579073  0.918022  0.604676  1
  Ta  Ta213  1  0.588157  0.273042  0.633357  1
  Ta  Ta214  1  0.939282  0.779517  0.634619  1
  Ta  Ta215  1  0.934937  0.065134  0.575496  1
  Ta  Ta216  1  0.937488  0.419844  0.607360  1
  Ta  Ta217  1  0.051002  0.587487  0.621103  1
  Ta  Ta218  1  0.089848  0.890739  0.559321  1
  Ta  Ta219  1  0.097849  0.243715  0.590788  1
  Ta  Ta220  1  0.430918  0.742081  0.586235  1
  Ta  Ta221  1  0.444712  0.097508  0.620301  1
  Ta  Ta222  1  0.448506  0.385493  0.558828  1
  Ta  Ta223  1  1.013653  0.606125  0.564280  1
  Ta  Ta224  1  1.015194  0.964329  0.597241  1
  Ta  Ta225  1  0.018411  0.319382  0.628377  1
  Ta  Ta226  1  0.443235  0.651639  0.553317  1
  Ta  Ta227  1  0.443990  0.009736  0.586464  1
  Ta  Ta228  1  0.449180  0.363780  0.614954  1
  Ta  Ta229  1  0.768185  0.763547  0.583173  1
  Ta  Ta230  1  0.768459  0.116688  0.616934  1
  Ta  Ta231  1  0.766966  0.407064  0.556222  1
  Ta  Ta232  1  0.781310  0.615098  0.612242  1
  Ta  Ta233  1  0.810000  0.884098  0.557912  1
  Ta  Ta234  1  0.827892  0.237183  0.590999  1
  Ta  Ta235  1  0.629020  0.797271  0.629797  1
  Ta  Ta236  1  0.629235  0.082612  0.570853  1
  Ta  Ta237  1  0.636620  0.436430  0.601708  1
  Ta  Ta238  1  0.837146  0.516117  0.594513  1
  Ta  Ta239  1  0.833852  0.870317  0.613527  1
  Ta  Ta240  1  0.827667  0.156939  0.554168  1
  Ta  Ta241  1  0.231475  0.654583  0.604169  1
  Ta  Ta242  1  0.203414  0.044689  0.632855  1
  Ta  Ta243  1  0.205991  0.333934  0.569098  1
  Ta  Ta244  1  0.452933  0.613010  0.614868  1
  Ta  Ta245  1  0.404217  0.910141  0.553946  1
  Ta  Ta246  1  0.404691  0.260051  0.585045  1
  Ta  Ta247  1  0.190996  0.751696  0.612995  1
  Ta  Ta248  1  0.206491  0.061864  0.577024  1
  Ta  Ta249  1  0.212548  0.415311  0.604651  1
  Ta  Ta250  1  0.274021  0.575606  0.569680  1
  Ta  Ta251  1  0.267638  0.937633  0.602341  1
  Ta  Ta252  1  0.268865  0.293316  0.631077  1
  Ta  Ta253  1  0.956441  0.691048  0.597250  1
  Ta  Ta254  1  0.933027  0.041657  0.634178  1
  Ta  Ta255  1  0.933251  0.330653  0.572215  1
  Ta  Ta256  1  0.622577  0.685897  0.599648  1
  Ta  Ta257  1  0.625412  0.025063  0.635761  1
  Ta  Ta258  1  0.632386  0.313338  0.574501  1
  Ta  Ta259  1  0.411534  0.488770  0.589403  1
  Ta  Ta260  1  0.390570  0.838503  0.623012  1
  Ta  Ta261  1  0.402885  0.135651  0.560106  1
  Ta  Ta262  1  0.102540  0.505144  0.586299  1
  Ta  Ta263  1  0.114102  0.858255  0.619725  1
  Ta  Ta264  1  0.098424  0.153566  0.557402  1
  Ta  Ta265  1  0.298608  0.603463  0.719510  1
  Ta  Ta266  1  0.271551  0.885761  0.667236  1
  Ta  Ta267  1  0.285810  0.242448  0.697795  1
  Ta  Ta268  1  0.768638  0.706727  0.647762  1
  Ta  Ta269  1  0.767276  0.057271  0.680447  1
  Ta  Ta270  1  0.760527  0.420088  0.710388  1
  Ta  Ta271  1  0.566109  0.631984  0.718815  1
  Ta  Ta272  1  0.579779  0.899621  0.661602  1
  Ta  Ta273  1  0.583658  0.253577  0.688032  1
  Ta  Ta274  1  0.037309  0.486338  0.647466  1
  Ta  Ta275  1  1.007605  0.859856  0.673144  1
  Ta  Ta276  1  0.017423  0.211094  0.704148  1
  Ta  Ta277  1  0.593042  0.636452  0.663935  1
  Ta  Ta278  1  0.582113  0.983997  0.695870  1
  Ta  Ta279  1  0.568744  0.340877  0.720507  1
  Ta  Ta280  1  0.916466  0.844266  0.726597  1
  Ta  Ta281  1  0.945376  0.132089  0.669697  1
  Ta  Ta282  1  0.928709  0.505252  0.699793  1
  Ta  Ta283  1  0.125138  0.687311  0.708184  1
  Ta  Ta284  1  0.089115  0.955109  0.654341  1
  Ta  Ta285  1  0.104496  0.312730  0.684602  1
  Ta  Ta286  1  0.459771  0.811682  0.683228  1
  Ta  Ta287  1  0.452597  0.164265  0.707830  1
  Ta  Ta288  1  0.439256  0.451624  0.648225  1
  Ta  Ta289  1  0.022170  0.675563  0.652938  1
  Ta  Ta290  1  0.028904  0.034209  0.689639  1
  Ta  Ta291  1  0.040170  0.408108  0.712111  1
  Ta  Ta292  1  0.448485  0.723067  0.644060  1
  Ta  Ta293  1  0.448419  0.076526  0.676586  1
  Ta  Ta294  1  0.492754  0.443009  0.700296  1
  Ta  Ta295  1  0.766860  0.831134  0.673735  1
  Ta  Ta296  1  0.758312  0.184263  0.706370  1
  Ta  Ta297  1  0.750160  0.463502  0.653650  1
  Ta  Ta298  1  0.842757  0.641067  0.699144  1
  Ta  Ta299  1  0.810491  0.950786  0.648815  1
  Ta  Ta300  1  0.828708  0.305056  0.687994  1
  Ta  Ta301  1  0.643186  0.867529  0.718089  1
  Ta  Ta302  1  0.632909  0.148452  0.661557  1
  Ta  Ta303  1  0.666424  0.535232  0.695847  1
  Ta  Ta304  1  0.846050  0.572315  0.657705  1
  Ta  Ta305  1  0.845273  0.941838  0.701062  1
  Ta  Ta306  1  0.833347  0.225306  0.648387  1
  Ta  Ta307  1  0.201344  0.768487  0.665631  1
  Ta  Ta308  1  0.189411  0.121004  0.715760  1
  Ta  Ta309  1  0.207522  0.400254  0.659831  1
  Ta  Ta310  1  0.387436  0.709901  0.702470  1
  Ta  Ta311  1  0.401007  0.973114  0.647671  1
  Ta  Ta312  1  0.404495  0.330669  0.673188  1
  Ta  Ta313  1  0.195911  0.812187  0.714703  1
  Ta  Ta314  1  0.219845  0.129754  0.664702  1
  Ta  Ta315  1  0.229407  0.486673  0.694787  1
  Ta  Ta316  1  0.281771  0.646796  0.660876  1
  Ta  Ta317  1  0.276355  0.007886  0.693967  1
  Ta  Ta318  1  0.291599  0.371724  0.717061  1
  Ta  Ta319  1  0.937773  0.754257  0.693483  1
  Ta  Ta320  1  0.915339  0.106733  0.726626  1
  Ta  Ta321  1  0.926088  0.394002  0.665362  1
  Ta  Ta322  1  0.652139  0.739281  0.695235  1
  Ta  Ta323  1  0.630567  0.090814  0.722350  1
  Ta  Ta324  1  0.632854  0.370930  0.665427  1
  Ta  Ta325  1  0.422307  0.556462  0.678319  1
  Ta  Ta326  1  0.394515  0.910213  0.712015  1
  Ta  Ta327  1  0.406326  0.202977  0.650767  1
  Ta  Ta328  1  0.102225  0.580955  0.681624  1
  Ta  Ta329  1  0.114157  0.925977  0.713782  1
  Ta  Ta330  1  0.106203  0.220657  0.651129  1
