# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.57307884
_cell_length_b   12.03982610
_cell_length_c   46.32515636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.77466076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8625.18884997
_cell_formula_units_Z   220
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  0.791859  0.520870  0.317232  1
  Ta  Ta2  1  0.259928  0.592895  0.275578  1
  Ta  Ta3  1  0.563829  0.987155  0.340864  1
  Ta  Ta4  1  0.024209  0.059728  0.294617  1
  Ta  Ta5  1  0.706232  0.320130  0.297487  1
  Ta  Ta6  1  0.267320  0.213838  0.340480  1
  Ta  Ta7  1  0.348205  0.805562  0.291902  1
  Ta  Ta8  1  0.844292  0.779140  0.344519  1
  Ta  Ta9  1  0.688601  0.168489  0.342709  1
  Ta  Ta10  1  0.159405  0.243287  0.296157  1
  Ta  Ta11  1  0.431409  0.818615  0.342441  1
  Ta  Ta12  1  0.872115  0.916399  0.298040  1
  Ta  Ta13  1  0.684583  0.651248  0.344434  1
  Ta  Ta14  1  0.162602  0.733104  0.299981  1
  Ta  Ta15  1  0.429102  0.305455  0.332623  1
  Ta  Ta16  1  0.906614  0.399349  0.290597  1
  Ta  Ta17  1  0.558381  0.746035  0.308220  1
  Ta  Ta18  1  0.107199  0.662417  0.352201  1
  Ta  Ta19  1  0.497441  0.371509  0.279428  1
  Ta  Ta20  1  0.007925  0.268975  0.320236  1
  Ta  Ta21  1  0.395581  0.028646  0.314699  1
  Ta  Ta22  1  0.934313  1.003224  0.353741  1
  Ta  Ta23  1  0.692592  0.082419  0.285476  1
  Ta  Ta24  1  0.215896  0.997180  0.317188  1
  Ta  Ta25  1  0.343649  0.197983  0.284042  1
  Ta  Ta26  1  0.844730  0.128971  0.317292  1
  Ta  Ta27  1  0.702512  0.898701  0.315925  1
  Ta  Ta28  1  0.249466  0.836472  0.355282  1
  Ta  Ta29  1  0.495205  0.579772  0.358394  1
  Ta  Ta30  1  0.952178  0.657536  0.311689  1
  Ta  Ta31  1  0.589200  0.416086  0.333500  1
  Ta  Ta32  1  0.082958  0.500427  0.289125  1
  Ta  Ta33  1  0.436714  0.563825  0.302939  1
  Ta  Ta34  1  0.987080  0.475509  0.346459  1
  Ta  Ta35  1  0.622368  0.553734  0.289030  1
  Ta  Ta36  1  0.171357  0.465136  0.334013  1
  Ta  Ta37  1  0.526558  0.943616  0.284031  1
  Ta  Ta38  1  0.046093  0.864098  0.325656  1
  Ta  Ta39  1  0.543639  0.176586  0.301678  1
  Ta  Ta40  1  0.097918  0.103603  0.347265  1
  Ta  Ta41  1  0.299014  0.402624  0.298271  1
  Ta  Ta42  1  0.842691  0.327083  0.343685  1
  Ta  Ta43  1  0.763760  0.717141  0.289850  1
  Ta  Ta44  1  0.301799  0.638847  0.333278  1
  Ta  Ta45  1  0.873182  0.370511  0.406863  1
  Ta  Ta46  1  0.332567  0.443788  0.362929  1
  Ta  Ta47  1  0.638077  0.829361  0.430571  1
  Ta  Ta48  1  0.101117  0.905216  0.382309  1
  Ta  Ta49  1  0.799028  0.157068  0.389103  1
  Ta  Ta50  1  0.347457  0.055194  0.433755  1
  Ta  Ta51  1  0.385012  0.700875  0.391126  1
  Ta  Ta52  1  0.923043  0.627729  0.430467  1
  Ta  Ta53  1  0.760264  0.009150  0.436353  1
  Ta  Ta54  1  0.223810  0.082418  0.390238  1
  Ta  Ta55  1  0.511463  0.657140  0.427103  1
  Ta  Ta56  1  0.971347  0.737739  0.380487  1
  Ta  Ta57  1  0.766949  0.498660  0.435246  1
  Ta  Ta58  1  0.223842  0.575676  0.390641  1
  Ta  Ta59  1  0.503938  0.167744  0.425384  1
  Ta  Ta60  1  0.968323  0.227262  0.377380  1
  Ta  Ta61  1  0.643104  0.565617  0.399037  1
  Ta  Ta62  1  0.169154  0.519689  0.448164  1
  Ta  Ta63  1  0.530432  0.189772  0.366645  1
  Ta  Ta64  1  0.064971  0.102471  0.411475  1
  Ta  Ta65  1  0.478081  0.918537  0.403011  1
  Ta  Ta66  1  0.007852  0.842634  0.447100  1
  Ta  Ta67  1  0.754166  0.937746  0.369919  1
  Ta  Ta68  1  0.284055  0.847132  0.413781  1
  Ta  Ta69  1  0.379861  0.042037  0.370632  1
  Ta  Ta70  1  0.908153  0.942227  0.409638  1
  Ta  Ta71  1  0.777877  0.744994  0.404222  1
  Ta  Ta72  1  0.311899  0.673275  0.450697  1
  Ta  Ta73  1  0.561671  0.427376  0.451383  1
  Ta  Ta74  1  0.041462  0.493616  0.402770  1
  Ta  Ta75  1  0.666127  0.276412  0.421206  1
  Ta  Ta76  1  0.140317  0.310502  0.373325  1
  Ta  Ta77  1  0.509976  0.392902  0.394331  1
  Ta  Ta78  1  0.051782  0.315154  0.439272  1
  Ta  Ta79  1  0.706485  0.386179  0.372055  1
  Ta  Ta80  1  0.221478  0.338144  0.423054  1
  Ta  Ta81  1  0.591450  0.792236  0.373349  1
  Ta  Ta82  1  0.122196  0.715978  0.417144  1
  Ta  Ta83  1  0.630469  0.050102  0.397134  1
  Ta  Ta84  1  0.165541  0.955915  0.441159  1
  Ta  Ta85  1  0.354325  0.252488  0.395936  1
  Ta  Ta86  1  0.911513  0.161542  0.436240  1
  Ta  Ta87  1  0.844728  0.561304  0.374338  1
  Ta  Ta88  1  0.373750  0.489289  0.421874  1
  Ta  Ta89  1  0.940048  0.216863  0.499101  1
  Ta  Ta90  1  0.399492  0.294625  0.454915  1
  Ta  Ta91  1  0.709008  0.679217  0.522121  1
  Ta  Ta92  1  0.165122  0.754840  0.476368  1
  Ta  Ta93  1  0.878872  0.990419  0.479103  1
  Ta  Ta94  1  0.415197  0.905703  0.525183  1
  Ta  Ta95  1  0.451542  0.564208  0.478284  1
  Ta  Ta96  1  0.981245  0.451510  0.524655  1
  Ta  Ta97  1  0.834476  0.854106  0.529267  1
  Ta  Ta98  1  0.296543  0.926626  0.482498  1
  Ta  Ta99  1  0.577498  0.512337  0.516711  1
  Ta  Ta100  1  0.030807  0.587239  0.474539  1
  Ta  Ta101  1  0.820978  0.337481  0.523721  1
  Ta  Ta102  1  0.296622  0.429947  0.481568  1
  Ta  Ta103  1  0.576780  1.001492  0.516696  1
  Ta  Ta104  1  0.043678  0.082577  0.470521  1
  Ta  Ta105  1  0.711237  0.427903  0.488018  1
  Ta  Ta106  1  0.261357  0.378451  0.538147  1
  Ta  Ta107  1  0.595629  0.029288  0.458169  1
  Ta  Ta108  1  0.142106  0.966988  0.503359  1
  Ta  Ta109  1  0.549157  0.761932  0.494498  1
  Ta  Ta110  1  0.058425  0.661807  0.537289  1
  Ta  Ta111  1  0.827049  0.770534  0.461642  1
  Ta  Ta112  1  0.348192  0.697520  0.509004  1
  Ta  Ta113  1  0.444700  0.853235  0.458391  1
  Ta  Ta114  1  0.992754  0.817388  0.506056  1
  Ta  Ta115  1  0.857314  0.595322  0.497325  1
  Ta  Ta116  1  0.405112  0.535094  0.542588  1
  Ta  Ta117  1  0.649629  0.267508  0.541202  1
  Ta  Ta118  1  0.113792  0.344890  0.493956  1
  Ta  Ta119  1  0.748836  0.091716  0.508819  1
  Ta  Ta120  1  0.219512  0.169553  0.460483  1
  Ta  Ta121  1  0.589161  0.238232  0.485471  1
  Ta  Ta122  1  0.120495  0.167402  0.529813  1
  Ta  Ta123  1  0.772888  0.231244  0.462711  1
  Ta  Ta124  1  0.293928  0.185520  0.512313  1
  Ta  Ta125  1  0.664101  0.636779  0.463410  1
  Ta  Ta126  1  0.190466  0.562183  0.510168  1
  Ta  Ta127  1  0.703748  0.881244  0.487217  1
  Ta  Ta128  1  0.213847  0.798478  0.535507  1
  Ta  Ta129  1  0.430786  0.096014  0.486445  1
  Ta  Ta130  1  0.961911  0.027980  0.533951  1
  Ta  Ta131  1  0.913354  0.406207  0.465318  1
  Ta  Ta132  1  0.450516  0.336759  0.511960  1
  Ta  Ta133  1  0.010094  0.070847  0.592434  1
  Ta  Ta134  1  0.475656  0.142826  0.544356  1
  Ta  Ta135  1  0.781463  0.535388  0.616622  1
  Ta  Ta136  1  0.243139  0.608377  0.568291  1
  Ta  Ta137  1  0.956501  0.823160  0.570631  1
  Ta  Ta138  1  0.492632  0.771975  0.620909  1
  Ta  Ta139  1  0.533236  0.396381  0.566693  1
  Ta  Ta140  1  0.082445  0.290703  0.613106  1
  Ta  Ta141  1  0.908850  0.706939  0.620768  1
  Ta  Ta142  1  0.368938  0.781030  0.575149  1
  Ta  Ta143  1  0.661208  0.359876  0.606669  1
  Ta  Ta144  1  0.117184  0.432480  0.562945  1
  Ta  Ta145  1  0.915037  0.216238  0.620555  1
  Ta  Ta146  1  0.377599  0.281216  0.572957  1
  Ta  Ta147  1  0.655368  0.862935  0.609518  1
  Ta  Ta148  1  0.111642  0.941748  0.561842  1
  Ta  Ta149  1  0.828209  0.346504  0.583242  1
  Ta  Ta150  1  0.348556  0.254183  0.632552  1
  Ta  Ta151  1  0.677233  0.881517  0.550624  1
  Ta  Ta152  1  0.228071  0.853531  0.597226  1
  Ta  Ta153  1  0.604809  0.603864  0.584100  1
  Ta  Ta154  1  0.134995  0.507887  0.626558  1
  Ta  Ta155  1  0.886139  0.609185  0.555647  1
  Ta  Ta156  1  0.428507  0.561962  0.600705  1
  Ta  Ta157  1  0.524520  0.741289  0.551831  1
  Ta  Ta158  1  0.090744  0.690490  0.594308  1
  Ta  Ta159  1  0.976143  0.491650  0.593120  1
  Ta  Ta160  1  0.499760  0.400350  0.627700  1
  Ta  Ta161  1  0.741047  0.143924  0.621251  1
  Ta  Ta162  1  0.203731  0.201955  0.580256  1
  Ta  Ta163  1  0.833706  0.950077  0.597031  1
  Ta  Ta164  1  0.291479  0.019917  0.551387  1
  Ta  Ta165  1  0.654987  0.084786  0.574303  1
  Ta  Ta166  1  0.184392  0.044192  0.620699  1
  Ta  Ta167  1  0.827844  0.125126  0.559876  1
  Ta  Ta168  1  0.365339  0.056469  0.603845  1
  Ta  Ta169  1  0.724546  0.487689  0.553442  1
  Ta  Ta170  1  0.275375  0.419214  0.600510  1
  Ta  Ta171  1  0.763728  0.725718  0.583441  1
  Ta  Ta172  1  0.289871  0.654808  0.627099  1
  Ta  Ta173  1  0.497607  0.952716  0.579406  1
  Ta  Ta174  1  0.037516  0.880995  0.625674  1
  Ta  Ta175  1  0.988397  0.260747  0.558578  1
  Ta  Ta176  1  0.527361  0.189603  0.602265  1
  Ta  Ta177  1  0.089478  0.923697  0.683369  1
  Ta  Ta178  1  0.548133  0.999064  0.637297  1
  Ta  Ta179  1  0.853844  0.377923  0.704319  1
  Ta  Ta180  1  0.319032  0.461240  0.658971  1
  Ta  Ta181  1  0.033872  0.656517  0.656488  1
  Ta  Ta182  1  0.563478  0.598251  0.706852  1
  Ta  Ta183  1  0.611717  0.227038  0.656758  1
  Ta  Ta184  1  0.168423  0.131256  0.708074  1
  Ta  Ta185  1  1.002207  0.526045  0.705821  1
  Ta  Ta186  1  0.449846  0.633908  0.665022  1
  Ta  Ta187  1  0.720346  0.192410  0.700239  1
  Ta  Ta188  1  0.194840  0.279504  0.657416  1
  Ta  Ta189  1  0.971840  0.043447  0.707797  1
  Ta  Ta190  1  0.447715  0.135094  0.665780  1
  Ta  Ta191  1  0.728288  0.701283  0.702814  1
  Ta  Ta192  1  0.186603  0.790769  0.654018  1
  Ta  Ta193  1  0.875546  0.174160  0.677196  1
  Ta  Ta194  1  0.385002  0.069223  0.719331  1
  Ta  Ta195  1  0.770911  0.778557  0.648977  1
  Ta  Ta196  1  0.304011  0.697327  0.691091  1
  Ta  Ta197  1  0.666566  0.440087  0.679870  1
  Ta  Ta198  1  0.190451  0.367418  0.715389  1
  Ta  Ta199  1  0.952642  0.439307  0.648757  1
  Ta  Ta200  1  0.483506  0.404250  0.683756  1
  Ta  Ta201  1  0.624700  0.606094  0.643398  1
  Ta  Ta202  1  0.165791  0.536990  0.682063  1
  Ta  Ta203  1  0.037065  0.308386  0.683728  1
  Ta  Ta204  1  0.539980  0.233102  0.713418  1
  Ta  Ta205  1  0.792041  0.935620  0.706074  1
  Ta  Ta206  1  0.275673  0.050971  0.668510  1
  Ta  Ta207  1  0.928360  0.785283  0.688220  1
  Ta  Ta208  1  0.356657  0.880885  0.640519  1
  Ta  Ta209  1  0.715734  0.993452  0.660173  1
  Ta  Ta210  1  0.254557  0.895470  0.709578  1
  Ta  Ta211  1  0.898398  0.969824  0.652024  1
  Ta  Ta212  1  0.437159  0.882466  0.690013  1
  Ta  Ta213  1  0.787026  0.338676  0.650001  1
  Ta  Ta214  1  0.335537  0.266996  0.699384  1
  Ta  Ta215  1  0.834317  0.575779  0.673496  1
  Ta  Ta216  1  0.357025  0.504947  0.714869  1
  Ta  Ta217  1  0.601579  0.807421  0.675782  1
  Ta  Ta218  1  0.113890  0.724342  0.710257  1
  Ta  Ta219  1  0.054857  0.111814  0.655045  1
  Ta  Ta220  1  0.585310  0.023658  0.701125  1
