# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12188610
_cell_length_b   25.64429303
_cell_length_c   45.97538472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11933.7668489
_cell_formula_units_Z   300
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  0.966624  0.688112  0.359215  1
  Ta  Ta2  1  0.964496  0.132584  0.315996  1
  Ta  Ta3  1  0.260293  0.931042  0.327033  1
  Ta  Ta4  1  0.259853  0.373591  0.283265  1
  Ta  Ta5  1  0.321151  0.818636  0.337040  1
  Ta  Ta6  1  0.318084  0.257093  0.293204  1
  Ta  Ta7  1  0.134870  0.658798  0.304227  1
  Ta  Ta8  1  0.131974  0.223606  0.345112  1
  Ta  Ta9  1  0.865020  0.676989  0.294236  1
  Ta  Ta10  1  0.867602  0.244160  0.335896  1
  Ta  Ta11  1  0.902615  0.483192  0.309053  1
  Ta  Ta12  1  0.897329  0.045160  0.348954  1
  Ta  Ta13  1  0.822935  0.856032  0.319692  1
  Ta  Ta14  1  0.806524  0.294360  0.277911  1
  Ta  Ta15  1  0.186432  0.599954  0.360642  1
  Ta  Ta16  1  0.177936  0.036355  0.315121  1
  Ta  Ta17  1  0.740908  0.534578  0.356119  1
  Ta  Ta18  1  0.734461  0.968212  0.306576  1
  Ta  Ta19  1  0.939122  0.591100  0.325940  1
  Ta  Ta20  1  0.933528  0.038589  0.283691  1
  Ta  Ta21  1  0.401091  0.635345  0.312886  1
  Ta  Ta22  1  0.397744  0.201708  0.353947  1
  Ta  Ta23  1  0.501385  0.732909  0.341593  1
  Ta  Ta24  1  0.506191  0.174612  0.293841  1
  Ta  Ta25  1  0.535831  0.908914  0.336498  1
  Ta  Ta26  1  0.531283  0.354840  0.294322  1
  Ta  Ta27  1  0.573383  0.811072  0.301285  1
  Ta  Ta28  1  0.566539  0.377255  0.352601  1
  Ta  Ta29  1  0.041079  0.769075  0.322912  1
  Ta  Ta30  1  0.035777  0.220530  0.281784  1
  Ta  Ta31  1  0.600941  0.700030  0.287474  1
  Ta  Ta32  1  0.601379  0.266586  0.327596  1
  Ta  Ta33  1  0.317100  0.749677  0.293255  1
  Ta  Ta34  1  0.316995  0.321484  0.337770  1
  Ta  Ta35  1  0.683661  0.639976  0.342642  1
  Ta  Ta36  1  0.683884  0.076165  0.297824  1
  Ta  Ta37  1  0.995904  0.950494  0.316054  1
  Ta  Ta38  1  0.985104  0.395448  0.275039  1
  Ta  Ta39  1  0.842224  0.782955  0.277164  1
  Ta  Ta40  1  0.811768  0.363631  0.319781  1
  Ta  Ta41  1  0.677393  0.575261  0.297415  1
  Ta  Ta42  1  0.685195  0.144943  0.341486  1
  Ta  Ta43  1  0.436585  0.526142  0.287062  1
  Ta  Ta44  1  0.433722  0.091766  0.330526  1
  Ta  Ta45  1  0.190881  0.532526  0.315048  1
  Ta  Ta46  1  0.183115  0.102646  0.359695  1
  Ta  Ta47  1  0.763880  0.751283  0.333638  1
  Ta  Ta48  1  0.766023  0.187696  0.284807  1
  Ta  Ta49  1  0.382468  0.875712  0.283533  1
  Ta  Ta50  1  0.372834  0.440733  0.326320  1
  Ta  Ta51  1  0.065250  0.869301  0.353875  1
  Ta  Ta52  1  0.063451  0.313531  0.308108  1
  Ta  Ta53  1  0.634412  0.462306  0.315879  1
  Ta  Ta54  1  0.630860  0.024638  0.357251  1
  Ta  Ta55  1  0.466174  0.552096  0.346423  1
  Ta  Ta56  1  0.459750  0.996113  0.303411  1
  Ta  Ta57  1  0.241964  0.711306  0.351205  1
  Ta  Ta58  1  0.235360  0.150392  0.302455  1
  Ta  Ta59  1  0.110188  0.851649  0.292041  1
  Ta  Ta60  1  0.102814  0.419275  0.334539  1
  Ta  Ta61  1  0.965181  0.817597  0.449588  1
  Ta  Ta62  1  0.964952  0.255086  0.404981  1
  Ta  Ta63  1  0.261976  0.057305  0.417271  1
  Ta  Ta64  1  0.263432  0.493449  0.374199  1
  Ta  Ta65  1  0.315884  0.947391  0.428683  1
  Ta  Ta66  1  0.316448  0.383388  0.385102  1
  Ta  Ta67  1  0.133694  0.783805  0.391271  1
  Ta  Ta68  1  0.133249  0.347064  0.437790  1
  Ta  Ta69  1  0.871662  0.805468  0.381659  1
  Ta  Ta70  1  0.869582  0.369366  0.428027  1
  Ta  Ta71  1  0.899674  0.607878  0.396143  1
  Ta  Ta72  1  0.898972  0.171901  0.440876  1
  Ta  Ta73  1  0.817519  0.987656  0.410153  1
  Ta  Ta74  1  0.819924  0.424308  0.366923  1
  Ta  Ta75  1  0.186153  0.728251  0.452312  1
  Ta  Ta76  1  0.185641  0.165841  0.406362  1
  Ta  Ta77  1  0.740207  0.660107  0.446594  1
  Ta  Ta78  1  0.737964  0.096792  0.399076  1
  Ta  Ta79  1  0.938056  0.720298  0.419019  1
  Ta  Ta80  1  0.935423  0.160036  0.374182  1
  Ta  Ta81  1  0.400037  0.762931  0.400710  1
  Ta  Ta82  1  0.399070  0.326577  0.446756  1
  Ta  Ta83  1  0.501398  0.858677  0.431447  1
  Ta  Ta84  1  0.500033  0.295215  0.387065  1
  Ta  Ta85  1  0.536236  0.036587  0.426370  1
  Ta  Ta86  1  0.539219  0.473146  0.383776  1
  Ta  Ta87  1  0.564994  0.940151  0.395547  1
  Ta  Ta88  1  0.566365  0.502621  0.443457  1
  Ta  Ta89  1  0.037244  0.899413  0.413547  1
  Ta  Ta90  1  0.035350  0.336296  0.369143  1
  Ta  Ta91  1  0.604692  0.826638  0.372224  1
  Ta  Ta92  1  0.603667  0.389740  0.419332  1
  Ta  Ta93  1  0.317511  0.882381  0.383113  1
  Ta  Ta94  1  0.318136  0.446145  0.430893  1
  Ta  Ta95  1  0.686094  0.769381  0.433765  1
  Ta  Ta96  1  0.682095  0.206135  0.388420  1
  Ta  Ta97  1  1.000390  0.077016  0.408358  1
  Ta  Ta98  1  0.003492  0.514656  0.365167  1
  Ta  Ta99  1  0.814105  0.924876  0.363876  1
  Ta  Ta100  1  0.816842  0.487873  0.412776  1
  Ta  Ta101  1  0.686315  0.704269  0.389024  1
  Ta  Ta102  1  0.685578  0.269720  0.434763  1
  Ta  Ta103  1  0.438130  0.649946  0.377751  1
  Ta  Ta104  1  0.435540  0.214336  0.422707  1
  Ta  Ta105  1  0.185711  0.662571  0.407102  1
  Ta  Ta106  1  0.184665  0.228583  0.452550  1
  Ta  Ta107  1  0.763192  0.878954  0.422125  1
  Ta  Ta108  1  0.762659  0.315358  0.377996  1
  Ta  Ta109  1  0.368147  0.004191  0.367819  1
  Ta  Ta110  1  0.370502  0.565417  0.415256  1
  Ta  Ta111  1  0.064914  0.996153  0.444405  1
  Ta  Ta112  1  0.066137  0.432507  0.400965  1
  Ta  Ta113  1  0.633361  0.587190  0.405533  1
  Ta  Ta114  1  0.633039  0.151293  0.449472  1
  Ta  Ta115  1  0.465656  0.680307  0.437431  1
  Ta  Ta116  1  0.464472  0.118746  0.390606  1
  Ta  Ta117  1  0.239704  0.838319  0.440557  1
  Ta  Ta118  1  0.238570  0.275116  0.395261  1
  Ta  Ta119  1  0.101030  0.981633  0.376455  1
  Ta  Ta120  1  0.104389  0.544737  0.424406  1
  Ta  Ta121  1  0.965287  0.944560  0.540445  1
  Ta  Ta122  1  0.965940  0.380468  0.496771  1
  Ta  Ta123  1  0.263527  0.183596  0.509505  1
  Ta  Ta124  1  0.263381  0.619506  0.464669  1
  Ta  Ta125  1  0.317974  0.074420  0.520499  1
  Ta  Ta126  1  0.317498  0.510087  0.476629  1
  Ta  Ta127  1  0.132621  0.911112  0.481851  1
  Ta  Ta128  1  0.133666  0.473818  0.529381  1
  Ta  Ta129  1  0.869182  0.932890  0.471987  1
  Ta  Ta130  1  0.870223  0.495586  0.519565  1
  Ta  Ta131  1  0.899347  0.735165  0.486482  1
  Ta  Ta132  1  0.900131  0.298081  0.533213  1
  Ta  Ta133  1  0.818015  0.114452  0.502428  1
  Ta  Ta134  1  0.818179  0.550930  0.458238  1
  Ta  Ta135  1  0.184455  0.855911  0.543235  1
  Ta  Ta136  1  0.184945  0.292226  0.498919  1
  Ta  Ta137  1  0.739303  0.787179  0.536657  1
  Ta  Ta138  1  0.739445  0.223101  0.491867  1
  Ta  Ta139  1  0.936877  0.847881  0.509562  1
  Ta  Ta140  1  0.936321  0.284481  0.465185  1
  Ta  Ta141  1  0.398958  0.890243  0.490863  1
  Ta  Ta142  1  0.399890  0.452825  0.538548  1
  Ta  Ta143  1  0.500944  0.985517  0.522394  1
  Ta  Ta144  1  0.501748  0.421199  0.478974  1
  Ta  Ta145  1  0.537046  0.162388  0.518425  1
  Ta  Ta146  1  0.537771  0.599260  0.473866  1
  Ta  Ta147  1  0.566053  0.066414  0.486600  1
  Ta  Ta148  1  0.565216  0.629305  0.533794  1
  Ta  Ta149  1  0.036864  0.026279  0.504625  1
  Ta  Ta150  1  0.037517  0.462222  0.460928  1
  Ta  Ta151  1  0.602972  0.953875  0.462819  1
  Ta  Ta152  1  0.603809  0.516489  0.510519  1
  Ta  Ta153  1  0.316694  0.010543  0.474414  1
  Ta  Ta154  1  0.316685  0.573168  0.522080  1
  Ta  Ta155  1  0.684990  0.896599  0.524712  1
  Ta  Ta156  1  0.684957  0.332331  0.480868  1
  Ta  Ta157  1  0.001514  0.203349  0.500674  1
  Ta  Ta158  1  0.001772  0.639799  0.455552  1
  Ta  Ta159  1  0.816008  0.051949  0.456212  1
  Ta  Ta160  1  0.817062  0.615179  0.503725  1
  Ta  Ta161  1  0.686132  0.833537  0.479269  1
  Ta  Ta162  1  0.686224  0.396143  0.526971  1
  Ta  Ta163  1  0.437517  0.777421  0.467579  1
  Ta  Ta164  1  0.436844  0.340284  0.514754  1
  Ta  Ta165  1  0.185731  0.791656  0.497678  1
  Ta  Ta166  1  0.186961  0.354695  0.545158  1
  Ta  Ta167  1  0.763118  0.005536  0.513566  1
  Ta  Ta168  1  0.763593  0.441340  0.470014  1
  Ta  Ta169  1  0.369077  0.129189  0.459501  1
  Ta  Ta170  1  0.369905  0.692498  0.505565  1
  Ta  Ta171  1  0.066612  0.122222  0.536176  1
  Ta  Ta172  1  0.065854  0.558873  0.491826  1
  Ta  Ta173  1  0.632779  0.714211  0.495789  1
  Ta  Ta174  1  0.633913  0.277526  0.541848  1
  Ta  Ta175  1  0.464855  0.807505  0.527505  1
  Ta  Ta176  1  0.465860  0.244322  0.482924  1
  Ta  Ta177  1  0.239099  0.965487  0.531403  1
  Ta  Ta178  1  0.239658  0.401167  0.487789  1
  Ta  Ta179  1  0.102938  0.108591  0.468163  1
  Ta  Ta180  1  0.103396  0.671563  0.514878  1
  Ta  Ta181  1  0.967033  0.070789  0.632862  1
  Ta  Ta182  1  0.965638  0.507294  0.587822  1
  Ta  Ta183  1  0.265022  0.309812  0.602298  1
  Ta  Ta184  1  0.262493  0.746635  0.554757  1
  Ta  Ta185  1  0.321042  0.200515  0.612935  1
  Ta  Ta186  1  0.316624  0.637331  0.567587  1
  Ta  Ta187  1  0.133098  0.037493  0.573501  1
  Ta  Ta188  1  0.131183  0.601284  0.619693  1
  Ta  Ta189  1  0.869637  0.059704  0.563608  1
  Ta  Ta190  1  0.869121  0.622932  0.610106  1
  Ta  Ta191  1  0.898075  0.862001  0.576844  1
  Ta  Ta192  1  0.902204  0.425017  0.624903  1
  Ta  Ta193  1  0.817853  0.240716  0.595005  1
  Ta  Ta194  1  0.816586  0.678494  0.549086  1
  Ta  Ta195  1  0.181947  0.982814  0.634803  1
  Ta  Ta196  1  0.185563  0.418985  0.591219  1
  Ta  Ta197  1  0.738380  0.913110  0.626965  1
  Ta  Ta198  1  0.741232  0.349308  0.584100  1
  Ta  Ta199  1  0.936259  0.974489  0.600319  1
  Ta  Ta200  1  0.938145  0.410483  0.557008  1
  Ta  Ta201  1  0.398806  0.017026  0.582077  1
  Ta  Ta202  1  0.398164  0.580112  0.629129  1
  Ta  Ta203  1  0.502996  0.111357  0.614199  1
  Ta  Ta204  1  0.501456  0.548040  0.569921  1
  Ta  Ta205  1  0.538607  0.287983  0.610720  1
  Ta  Ta206  1  0.536991  0.726415  0.563919  1
  Ta  Ta207  1  0.567436  0.192362  0.578628  1
  Ta  Ta208  1  0.564476  0.756785  0.623597  1
  Ta  Ta209  1  0.038312  0.151264  0.596435  1
  Ta  Ta210  1  0.037665  0.589136  0.551795  1
  Ta  Ta211  1  0.603749  0.080104  0.554550  1
  Ta  Ta212  1  0.602746  0.643803  0.600654  1
  Ta  Ta213  1  0.317066  0.136832  0.566681  1
  Ta  Ta214  1  0.316419  0.702467  0.612323  1
  Ta  Ta215  1  0.685166  0.023227  0.616233  1
  Ta  Ta216  1  0.687139  0.459294  0.572690  1
  Ta  Ta217  1  0.002825  0.329517  0.593047  1
  Ta  Ta218  1  1.000967  0.766925  0.545792  1
  Ta  Ta219  1  0.818266  0.178127  0.548770  1
  Ta  Ta220  1  0.816986  0.744195  0.594252  1
  Ta  Ta221  1  0.684510  0.960626  0.570401  1
  Ta  Ta222  1  0.685478  0.524317  0.618254  1
  Ta  Ta223  1  0.436159  0.904183  0.557975  1
  Ta  Ta224  1  0.438011  0.466551  0.605797  1
  Ta  Ta225  1  0.185740  0.919317  0.588659  1
  Ta  Ta226  1  0.188950  0.481845  0.637470  1
  Ta  Ta227  1  0.764567  0.131496  0.605956  1
  Ta  Ta228  1  0.763125  0.568409  0.560822  1
  Ta  Ta229  1  0.369908  0.255399  0.551883  1
  Ta  Ta230  1  0.369141  0.819568  0.595826  1
  Ta  Ta231  1  0.067544  0.246240  0.627267  1
  Ta  Ta232  1  0.064684  0.686452  0.582354  1
  Ta  Ta233  1  0.631906  0.841218  0.586040  1
  Ta  Ta234  1  0.635102  0.402533  0.633510  1
  Ta  Ta235  1  0.462835  0.933847  0.617707  1
  Ta  Ta236  1  0.466831  0.370102  0.574977  1
  Ta  Ta237  1  0.240039  0.091182  0.623668  1
  Ta  Ta238  1  0.239678  0.527742  0.579234  1
  Ta  Ta239  1  0.104017  0.234660  0.560516  1
  Ta  Ta240  1  0.102954  0.798848  0.605185  1
  Ta  Ta241  1  0.969119  0.184854  0.719200  1
  Ta  Ta242  1  0.961714  0.637708  0.678440  1
  Ta  Ta243  1  0.268848  0.438652  0.694752  1
  Ta  Ta244  1  0.261492  0.872296  0.645176  1
  Ta  Ta245  1  0.320295  0.330869  0.703433  1
  Ta  Ta246  1  0.318902  0.766830  0.658678  1
  Ta  Ta247  1  0.135261  0.161904  0.665582  1
  Ta  Ta248  1  0.137584  0.729839  0.707062  1
  Ta  Ta249  1  0.872055  0.181333  0.656576  1
  Ta  Ta250  1  0.867773  0.748063  0.697116  1
  Ta  Ta251  1  0.897902  0.987017  0.666099  1
  Ta  Ta252  1  0.892786  0.555111  0.709302  1
  Ta  Ta253  1  0.825550  0.370209  0.686244  1
  Ta  Ta254  1  0.816040  0.806773  0.640705  1
  Ta  Ta255  1  0.212788  0.116208  0.721946  1
  Ta  Ta256  1  0.180020  0.550732  0.681646  1
  Ta  Ta257  1  0.740259  0.034378  0.717268  1
  Ta  Ta258  1  0.742988  0.475638  0.674321  1
  Ta  Ta259  1  0.942171  0.090416  0.694946  1
  Ta  Ta260  1  0.937755  0.537416  0.647485  1
  Ta  Ta261  1  0.403581  0.140768  0.673288  1
  Ta  Ta262  1  0.401702  0.706779  0.713852  1
  Ta  Ta263  1  0.498599  0.231951  0.707314  1
  Ta  Ta264  1  0.501360  0.673863  0.659765  1
  Ta  Ta265  1  0.543691  0.410657  0.697892  1
  Ta  Ta266  1  0.536015  0.854648  0.654909  1
  Ta  Ta267  1  0.570233  0.314872  0.670799  1
  Ta  Ta268  1  0.565476  0.880634  0.714237  1
  Ta  Ta269  1  0.038952  0.273970  0.685333  1
  Ta  Ta270  1  0.036100  0.718709  0.642164  1
  Ta  Ta271  1  0.606905  0.205082  0.647185  1
  Ta  Ta272  1  0.601563  0.771467  0.688448  1
  Ta  Ta273  1  0.318568  0.261886  0.659792  1
  Ta  Ta274  1  0.324761  0.831556  0.703919  1
  Ta  Ta275  1  0.686789  0.149103  0.708298  1
  Ta  Ta276  1  0.681756  0.588094  0.664311  1
  Ta  Ta277  1  0.007286  0.456187  0.685302  1
  Ta  Ta278  1  0.998707  0.891965  0.635896  1
  Ta  Ta279  1  0.820584  0.303931  0.641661  1
  Ta  Ta280  1  0.811705  0.874420  0.686181  1
  Ta  Ta281  1  0.687564  0.085451  0.663392  1
  Ta  Ta282  1  0.685690  0.657092  0.708086  1
  Ta  Ta283  1  0.435356  0.029744  0.649050  1
  Ta  Ta284  1  0.429489  0.595696  0.700061  1
  Ta  Ta285  1  0.189042  0.042775  0.682279  1
  Ta  Ta286  1  0.160644  0.623893  0.724175  1
  Ta  Ta287  1  0.769216  0.255740  0.698741  1
  Ta  Ta288  1  0.760770  0.695447  0.650154  1
  Ta  Ta289  1  0.372515  0.382068  0.644069  1
  Ta  Ta290  1  0.366402  0.944581  0.685712  1
  Ta  Ta291  1  0.070089  0.368043  0.717600  1
  Ta  Ta292  1  0.063374  0.815943  0.675455  1
  Ta  Ta293  1  0.628624  0.965943  0.675008  1
  Ta  Ta294  1  0.620512  0.531051  0.717794  1
  Ta  Ta295  1  0.470408  0.052537  0.707091  1
  Ta  Ta296  1  0.467419  0.497866  0.664824  1
  Ta  Ta297  1  0.237654  0.220500  0.716833  1
  Ta  Ta298  1  0.238889  0.655494  0.667704  1
  Ta  Ta299  1  0.106024  0.361511  0.652410  1
  Ta  Ta300  1  0.100158  0.923579  0.691094  1
