# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46941301
_cell_length_b   16.06097476
_cell_length_c   48.72188375
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96821942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8192.53370116
_cell_formula_units_Z   198
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  0.269110  0.129666  0.350330  1
  Ta  Ta2  1  0.262264  0.868026  0.305831  1
  Ta  Ta3  1  0.269058  0.378761  0.397842  1
  Ta  Ta4  1  0.763138  0.880343  0.398100  1
  Ta  Ta5  1  0.766589  0.625161  0.350948  1
  Ta  Ta6  1  0.730716  0.407889  0.284242  1
  Ta  Ta7  1  0.580243  0.144861  0.345991  1
  Ta  Ta8  1  0.546002  0.882301  0.293978  1
  Ta  Ta9  1  0.593124  0.391748  0.392169  1
  Ta  Ta10  1  0.028697  0.105377  0.366973  1
  Ta  Ta11  1  0.018560  0.847137  0.318142  1
  Ta  Ta12  1  0.093555  0.583203  0.277509  1
  Ta  Ta13  1  0.595046  0.061597  0.296388  1
  Ta  Ta14  1  0.594119  0.564633  0.388013  1
  Ta  Ta15  1  0.603117  0.324741  0.337864  1
  Ta  Ta16  1  0.911765  0.953930  0.356616  1
  Ta  Ta17  1  0.921272  0.686526  0.311748  1
  Ta  Ta18  1  0.944260  0.190718  0.412765  1
  Ta  Ta19  1  0.114049  0.195469  0.308766  1
  Ta  Ta20  1  0.101769  0.691070  0.409914  1
  Ta  Ta21  1  0.110557  0.437714  0.355870  1
  Ta  Ta22  1  0.443162  0.066674  0.388789  1
  Ta  Ta23  1  0.444033  0.807899  0.339901  1
  Ta  Ta24  1  0.506230  0.546451  0.290142  1
  Ta  Ta25  1  1.015768  0.856418  0.411623  1
  Ta  Ta26  1  1.012523  0.598642  0.364995  1
  Ta  Ta27  1  0.888139  0.330705  0.323092  1
  Ta  Ta28  1  0.448457  0.894798  0.390199  1
  Ta  Ta29  1  0.451935  0.634362  0.342982  1
  Ta  Ta30  1  0.447708  0.381047  0.295597  1
  Ta  Ta31  1  0.757388  0.078438  0.382484  1
  Ta  Ta32  1  0.748703  0.820317  0.332775  1
  Ta  Ta33  1  0.781620  0.588223  0.280460  1
  Ta  Ta34  1  0.848741  0.132146  0.323890  1
  Ta  Ta35  1  0.806349  0.792893  0.276039  1
  Ta  Ta36  1  0.844717  0.434674  0.369465  1
  Ta  Ta37  1  0.635017  0.961788  0.350061  1
  Ta  Ta38  1  0.622437  0.698537  0.307258  1
  Ta  Ta39  1  0.626042  0.201511  0.408402  1
  Ta  Ta40  1  0.816793  0.961322  0.300549  1
  Ta  Ta41  1  0.822460  0.523502  0.415679  1
  Ta  Ta42  1  0.796839  0.254220  0.369849  1
  Ta  Ta43  1  0.208423  0.027723  0.414504  1
  Ta  Ta44  1  0.222525  0.774363  0.367611  1
  Ta  Ta45  1  0.257793  0.521256  0.316383  1
  Ta  Ta46  1  0.411153  0.198996  0.308019  1
  Ta  Ta47  1  0.406925  0.704644  0.403145  1
  Ta  Ta48  1  0.421499  0.453248  0.354148  1
  Ta  Ta49  1  0.186057  0.940392  0.365328  1
  Ta  Ta50  1  0.170894  0.684816  0.325390  1
  Ta  Ta51  1  0.118860  0.380753  0.296285  1
  Ta  Ta52  1  0.314116  0.050354  0.287306  1
  Ta  Ta53  1  0.271443  0.578107  0.378047  1
  Ta  Ta54  1  0.286909  0.321187  0.335166  1
  Ta  Ta55  1  0.917511  0.259194  0.274228  1
  Ta  Ta56  1  0.945643  0.768113  0.365468  1
  Ta  Ta57  1  0.943657  0.507417  0.316727  1
  Ta  Ta58  1  0.668915  0.236553  0.294251  1
  Ta  Ta59  1  0.627183  0.748539  0.376752  1
  Ta  Ta60  1  0.657957  0.491467  0.330066  1
  Ta  Ta61  1  0.399125  0.993546  0.333799  1
  Ta  Ta62  1  0.358513  0.702076  0.289349  1
  Ta  Ta63  1  0.425466  0.253161  0.376583  1
  Ta  Ta64  1  0.092034  0.018887  0.316359  1
  Ta  Ta65  1  0.094033  0.757330  0.272047  1
  Ta  Ta66  1  0.070242  0.271138  0.361343  1
  Ta  Ta67  1  0.269305  0.884422  0.494881  1
  Ta  Ta68  1  0.267045  0.629472  0.447905  1
  Ta  Ta69  1  0.269856  0.134185  0.544778  1
  Ta  Ta70  1  0.766181  0.636016  0.542993  1
  Ta  Ta71  1  0.764072  0.383776  0.496044  1
  Ta  Ta72  1  0.768902  0.128281  0.449938  1
  Ta  Ta73  1  0.587454  0.897719  0.486560  1
  Ta  Ta74  1  0.589815  0.645379  0.439082  1
  Ta  Ta75  1  0.589435  0.150335  0.535906  1
  Ta  Ta76  1  0.019262  0.861070  0.509116  1
  Ta  Ta77  1  1.016527  0.607424  0.460594  1
  Ta  Ta78  1  0.019850  0.353323  0.412488  1
  Ta  Ta79  1  0.589437  0.818333  0.435117  1
  Ta  Ta80  1  0.589793  0.323288  0.531955  1
  Ta  Ta81  1  0.587415  0.070948  0.484461  1
  Ta  Ta82  1  0.932936  0.697487  0.506309  1
  Ta  Ta83  1  0.938892  0.443281  0.459411  1
  Ta  Ta84  1  0.939475  0.952751  0.556614  1
  Ta  Ta85  1  0.098904  0.944787  0.458629  1
  Ta  Ta86  1  0.093277  0.453521  0.557886  1
  Ta  Ta87  1  0.096780  0.197423  0.508491  1
  Ta  Ta88  1  0.437966  0.823138  0.530489  1
  Ta  Ta89  1  0.442511  0.570792  0.483467  1
  Ta  Ta90  1  0.440769  0.319474  0.436145  1
  Ta  Ta91  1  0.019833  0.615393  0.558544  1
  Ta  Ta92  1  1.016530  0.361260  0.510435  1
  Ta  Ta93  1  0.019224  0.107565  0.461958  1
  Ta  Ta94  1  0.440680  0.649271  0.534906  1
  Ta  Ta95  1  0.442559  0.397957  0.487577  1
  Ta  Ta96  1  0.437843  0.145596  0.440551  1
  Ta  Ta97  1  0.768776  0.840259  0.521119  1
  Ta  Ta98  1  0.764073  0.584841  0.475002  1
  Ta  Ta99  1  0.766214  0.332633  0.428054  1
  Ta  Ta100  1  0.830317  0.940867  0.460950  1
  Ta  Ta101  1  0.831280  0.691358  0.411831  1
  Ta  Ta102  1  0.826517  0.194986  0.510359  1
  Ta  Ta103  1  0.626006  0.712206  0.498012  1
  Ta  Ta104  1  0.625890  0.458551  0.451375  1
  Ta  Ta105  1  0.627609  0.965516  0.544963  1
  Ta  Ta106  1  0.826204  0.773477  0.460701  1
  Ta  Ta107  1  0.831081  0.277205  0.559203  1
  Ta  Ta108  1  0.829990  0.027577  0.510092  1
  Ta  Ta109  1  0.213201  0.771569  0.561546  1
  Ta  Ta110  1  0.206163  0.526645  0.510343  1
  Ta  Ta111  1  0.200481  0.272248  0.461022  1
  Ta  Ta112  1  0.404104  0.959396  0.450477  1
  Ta  Ta113  1  0.404860  0.464491  0.547345  1
  Ta  Ta114  1  0.402765  0.212245  0.499552  1
  Ta  Ta115  1  0.200749  0.696478  0.509945  1
  Ta  Ta116  1  0.206395  0.442143  0.460677  1
  Ta  Ta117  1  0.213729  0.197518  0.409320  1
  Ta  Ta118  1  0.269807  0.834616  0.426255  1
  Ta  Ta119  1  0.267054  0.339310  0.523118  1
  Ta  Ta120  1  0.269362  0.084273  0.476200  1
  Ta  Ta121  1  0.939335  0.015851  0.414423  1
  Ta  Ta122  1  0.938673  0.525310  0.511641  1
  Ta  Ta123  1  0.932663  0.271098  0.464753  1
  Ta  Ta124  1  0.627670  1.003128  0.426087  1
  Ta  Ta125  1  0.625863  0.510125  0.519680  1
  Ta  Ta126  1  0.626062  0.256417  0.473052  1
  Ta  Ta127  1  0.402773  0.756526  0.471458  1
  Ta  Ta128  1  0.404919  0.504253  0.423684  1
  Ta  Ta129  1  0.404127  0.009335  0.520551  1
  Ta  Ta130  1  0.096453  0.771401  0.462521  1
  Ta  Ta131  1  0.093158  0.515263  0.413146  1
  Ta  Ta132  1  0.098603  0.024003  0.512399  1
  Ta  Ta133  1  0.286740  0.647384  0.635988  1
  Ta  Ta134  1  0.271431  0.390642  0.593003  1
  Ta  Ta135  1  0.314147  0.918366  0.683726  1
  Ta  Ta136  1  0.781801  0.380478  0.690587  1
  Ta  Ta137  1  0.748736  0.148400  0.638257  1
  Ta  Ta138  1  0.757370  0.890281  0.588544  1
  Ta  Ta139  1  0.603069  0.643946  0.633094  1
  Ta  Ta140  1  0.594072  0.404061  0.583014  1
  Ta  Ta141  1  0.595123  0.907128  0.674641  1
  Ta  Ta142  1  0.888560  0.638069  0.647914  1
  Ta  Ta143  1  1.012445  0.370006  0.605993  1
  Ta  Ta144  1  1.015784  0.112270  0.559404  1
  Ta  Ta145  1  0.593038  0.576959  0.578867  1
  Ta  Ta146  1  0.546082  0.086494  0.677065  1
  Ta  Ta147  1  0.580218  0.823854  0.625015  1
  Ta  Ta148  1  0.943838  0.461125  0.654275  1
  Ta  Ta149  1  0.945735  0.200513  0.605563  1
  Ta  Ta150  1  0.917495  0.709677  0.696797  1
  Ta  Ta151  1  0.070794  0.697701  0.609627  1
  Ta  Ta152  1  0.094014  0.211474  0.698995  1
  Ta  Ta153  1  0.092100  0.949869  0.654683  1
  Ta  Ta154  1  0.448066  0.587707  0.675446  1
  Ta  Ta155  1  0.451983  0.334388  0.628063  1
  Ta  Ta156  1  0.448476  0.073952  0.580845  1
  Ta  Ta157  1  0.093590  0.385547  0.693557  1
  Ta  Ta158  1  0.018592  0.121587  0.652911  1
  Ta  Ta159  1  0.028718  0.863404  0.604049  1
  Ta  Ta160  1  0.506487  0.422291  0.680918  1
  Ta  Ta161  1  0.444037  0.160883  0.631144  1
  Ta  Ta162  1  0.443086  0.902080  0.582252  1
  Ta  Ta163  1  0.731223  0.560854  0.686728  1
  Ta  Ta164  1  0.766596  0.343492  0.620068  1
  Ta  Ta165  1  0.763148  0.088296  0.572929  1
  Ta  Ta166  1  0.797104  0.714475  0.601236  1
  Ta  Ta167  1  0.822549  0.445060  0.555374  1
  Ta  Ta168  1  0.816852  0.007441  0.670513  1
  Ta  Ta169  1  0.657994  0.477199  0.640965  1
  Ta  Ta170  1  0.627141  0.220144  0.594285  1
  Ta  Ta171  1  0.669143  0.732139  0.676664  1
  Ta  Ta172  1  0.844697  0.533997  0.601568  1
  Ta  Ta173  1  0.806406  0.175844  0.695006  1
  Ta  Ta174  1  0.848824  0.836752  0.647134  1
  Ta  Ta175  1  0.118563  0.587793  0.674830  1
  Ta  Ta176  1  0.170855  0.284054  0.645662  1
  Ta  Ta177  1  0.186013  0.028462  0.605733  1
  Ta  Ta178  1  0.424589  0.715586  0.594470  1
  Ta  Ta179  1  0.358574  0.266712  0.681701  1
  Ta  Ta180  1  0.399164  0.975216  0.637241  1
  Ta  Ta181  1  0.258045  0.447526  0.654708  1
  Ta  Ta182  1  0.222503  0.194482  0.603426  1
  Ta  Ta183  1  0.208630  0.941339  0.556542  1
  Ta  Ta184  1  0.268978  0.590008  0.573190  1
  Ta  Ta185  1  0.262327  0.100774  0.665214  1
  Ta  Ta186  1  0.269061  0.839153  0.620700  1
  Ta  Ta187  1  0.943781  0.777888  0.558303  1
  Ta  Ta188  1  0.921270  0.282146  0.659273  1
  Ta  Ta189  1  0.911752  0.014795  0.614427  1
  Ta  Ta190  1  0.625838  0.767045  0.562731  1
  Ta  Ta191  1  0.622515  0.270216  0.663788  1
  Ta  Ta192  1  0.635075  1.006916  0.620997  1
  Ta  Ta193  1  0.421470  0.515475  0.616885  1
  Ta  Ta194  1  0.406885  0.264102  0.567884  1
  Ta  Ta195  1  0.411261  0.769774  0.662979  1
  Ta  Ta196  1  0.110584  0.530994  0.615179  1
  Ta  Ta197  1  0.101598  0.277691  0.561089  1
  Ta  Ta198  1  0.114096  0.773251  0.662269  1
