# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32412559
_cell_length_b   11.84274647
_cell_length_c   46.31030961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta120
_cell_volume   4703.95217265
_cell_formula_units_Z   120
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  0.590220  0.219237  0.309069  1
  Ta  Ta2  1  0.094395  0.227648  0.310463  1
  Ta  Ta3  1  0.027049  0.593922  0.295498  1
  Ta  Ta4  1  0.458372  0.955321  0.282093  1
  Ta  Ta5  1  0.528046  0.593943  0.295495  1
  Ta  Ta6  1  0.653765  0.858074  0.322718  1
  Ta  Ta7  1  0.273272  0.091263  0.295625  1
  Ta  Ta8  1  0.779232  0.091150  0.295623  1
  Ta  Ta9  1  0.708997  0.456618  0.281646  1
  Ta  Ta10  1  0.841608  0.722184  0.309512  1
  Ta  Ta11  1  0.209335  0.457267  0.281593  1
  Ta  Ta12  1  0.340342  0.719617  0.309430  1
  Ta  Ta13  1  0.295630  0.132615  0.353257  1
  Ta  Ta14  1  0.798082  0.132598  0.353255  1
  Ta  Ta15  1  0.728499  0.495859  0.338643  1
  Ta  Ta16  1  0.165417  0.858117  0.322700  1
  Ta  Ta17  1  0.228450  0.495777  0.338841  1
  Ta  Ta18  1  0.364898  0.768769  0.368616  1
  Ta  Ta19  1  0.977189  0.993221  0.335966  1
  Ta  Ta20  1  0.478720  0.996346  0.338931  1
  Ta  Ta21  1  0.411894  0.360312  0.321257  1
  Ta  Ta22  1  0.547423  0.632689  0.353569  1
  Ta  Ta23  1  0.909586  0.360295  0.321256  1
  Ta  Ta24  1  0.046351  0.632713  0.353566  1
  Ta  Ta25  1  1.000906  0.040867  0.398235  1
  Ta  Ta26  1  0.501232  0.041522  0.399131  1
  Ta  Ta27  1  0.432793  0.404398  0.383262  1
  Ta  Ta28  1  0.865648  0.770262  0.368083  1
  Ta  Ta29  1  0.932609  0.404402  0.383260  1
  Ta  Ta30  1  0.069289  0.678034  0.414290  1
  Ta  Ta31  1  0.683894  0.905207  0.383249  1
  Ta  Ta32  1  0.182300  0.905208  0.383243  1
  Ta  Ta33  1  0.114729  0.268422  0.368501  1
  Ta  Ta34  1  0.251032  0.541124  0.399209  1
  Ta  Ta35  1  0.614889  0.268718  0.368121  1
  Ta  Ta36  1  0.751277  0.541604  0.399040  1
  Ta  Ta37  1  0.705654  0.950285  0.444617  1
  Ta  Ta38  1  0.205403  0.950285  0.444615  1
  Ta  Ta39  1  0.137277  0.313725  0.429480  1
  Ta  Ta40  1  0.569626  0.678031  0.414292  1
  Ta  Ta41  1  0.637327  0.313819  0.429396  1
  Ta  Ta42  1  0.773661  0.586596  0.459997  1
  Ta  Ta43  1  0.387441  0.814061  0.429557  1
  Ta  Ta44  1  0.887602  0.814377  0.429313  1
  Ta  Ta45  1  0.819618  0.177617  0.414129  1
  Ta  Ta46  1  0.955363  0.450108  0.444667  1
  Ta  Ta47  1  0.318887  0.177617  0.414130  1
  Ta  Ta48  1  0.455525  0.450106  0.444668  1
  Ta  Ta49  1  0.409874  0.859138  0.490558  1
  Ta  Ta50  1  0.909869  0.859124  0.490429  1
  Ta  Ta51  1  0.841772  0.222768  0.475219  1
  Ta  Ta52  1  0.273588  0.586452  0.460070  1
  Ta  Ta53  1  0.341665  0.222768  0.475220  1
  Ta  Ta54  1  0.477986  0.495311  0.505789  1
  Ta  Ta55  1  0.091740  0.722874  0.475256  1
  Ta  Ta56  1  0.591801  0.722872  0.475257  1
  Ta  Ta57  1  0.523640  0.086560  0.460029  1
  Ta  Ta58  1  0.659831  0.359044  0.490531  1
  Ta  Ta59  1  0.023543  0.086363  0.459801  1
  Ta  Ta60  1  0.159822  0.359028  0.490528  1
  Ta  Ta61  1  0.114210  0.767856  0.536269  1
  Ta  Ta62  1  0.614099  0.767856  0.536270  1
  Ta  Ta63  1  0.546089  0.131675  0.521092  1
  Ta  Ta64  1  0.977891  0.495312  0.505788  1
  Ta  Ta65  1  0.046085  0.131664  0.520967  1
  Ta  Ta66  1  0.182372  0.404342  0.551649  1
  Ta  Ta67  1  0.796024  0.631539  0.521051  1
  Ta  Ta68  1  0.296038  0.631566  0.521059  1
  Ta  Ta69  1  0.227980  0.995402  0.505745  1
  Ta  Ta70  1  0.364253  0.267980  0.536314  1
  Ta  Ta71  1  0.727980  0.995402  0.505745  1
  Ta  Ta72  1  0.864180  0.267981  0.536313  1
  Ta  Ta73  1  0.818283  0.676272  0.582116  1
  Ta  Ta74  1  0.318352  0.676403  0.582063  1
  Ta  Ta75  1  0.250600  0.040604  0.566847  1
  Ta  Ta76  1  0.682300  0.404200  0.551727  1
  Ta  Ta77  1  0.750348  0.040605  0.566845  1
  Ta  Ta78  1  0.886546  0.313258  0.597359  1
  Ta  Ta79  1  0.500448  0.540409  0.566897  1
  Ta  Ta80  1  1.000314  0.540410  0.566896  1
  Ta  Ta81  1  0.932249  0.904099  0.551432  1
  Ta  Ta82  1  0.068662  0.177032  0.581987  1
  Ta  Ta83  1  0.432341  0.904286  0.551664  1
  Ta  Ta84  1  0.568492  0.176698  0.582224  1
  Ta  Ta85  1  0.522713  0.585212  0.628146  1
  Ta  Ta86  1  0.022640  0.585214  0.628143  1
  Ta  Ta87  1  0.954703  0.949226  0.612201  1
  Ta  Ta88  1  0.386941  0.313255  0.597361  1
  Ta  Ta89  1  0.454982  0.949788  0.613090  1
  Ta  Ta90  1  0.590589  0.221105  0.643369  1
  Ta  Ta91  1  0.205060  0.449935  0.613069  1
  Ta  Ta92  1  0.704822  0.449472  0.613280  1
  Ta  Ta93  1  0.636137  0.812779  0.597204  1
  Ta  Ta94  1  0.772307  0.086155  0.628148  1
  Ta  Ta95  1  0.136878  0.812778  0.597203  1
  Ta  Ta96  1  0.273977  0.086156  0.628155  1
  Ta  Ta97  1  0.227725  0.495443  0.675046  1
  Ta  Ta98  1  0.727701  0.495397  0.675439  1
  Ta  Ta99  1  0.658229  0.858944  0.657709  1
  Ta  Ta100  1  0.091456  0.222832  0.642859  1
  Ta  Ta101  1  0.160759  0.858925  0.657707  1
  Ta  Ta102  1  0.290227  0.132069  0.688598  1
  Ta  Ta103  1  0.908732  0.358823  0.657994  1
  Ta  Ta104  1  0.410103  0.358804  0.657998  1
  Ta  Ta105  1  0.340603  0.721105  0.642892  1
  Ta  Ta106  1  0.477546  0.995123  0.675247  1
  Ta  Ta107  1  0.840441  0.720798  0.643109  1
  Ta  Ta108  1  0.976687  0.993337  0.672288  1
  Ta  Ta109  1  0.928905  0.399707  0.715085  1
  Ta  Ta110  1  0.430567  0.399738  0.715083  1
  Ta  Ta111  1  0.359976  0.759871  0.700965  1
  Ta  Ta112  1  0.801871  0.132106  0.688580  1
  Ta  Ta113  1  0.865140  0.770269  0.701922  1
  Ta  Ta114  1  0.996070  0.032414  0.729194  1
  Ta  Ta115  1  0.610193  0.260424  0.701208  1
  Ta  Ta116  1  0.112509  0.265089  0.701257  1
  Ta  Ta117  1  0.045737  0.634589  0.687198  1
  Ta  Ta118  1  0.182192  0.897961  0.715280  1
  Ta  Ta119  1  0.548956  0.634612  0.687198  1
  Ta  Ta120  1  0.675688  0.898068  0.715283  1
