# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71238413
_cell_length_b   22.07620482
_cell_length_c   51.82267868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06599665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8823.33231519
_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  0.973799  0.362144  0.275033  1
  Ta  Ta2  1  0.014166  0.831106  0.318583  1
  Ta  Ta3  1  0.515085  0.091835  0.295974  1
  Ta  Ta4  1  0.495066  0.570975  0.340360  1
  Ta  Ta5  1  0.752233  0.221574  0.355497  1
  Ta  Ta6  1  0.748990  0.749802  0.309689  1
  Ta  Ta7  1  0.265611  0.919932  0.329020  1
  Ta  Ta8  1  0.250988  0.448425  0.283299  1
  Ta  Ta9  1  0.448081  0.955295  0.284069  1
  Ta  Ta10  1  0.423467  0.439534  0.329285  1
  Ta  Ta11  1  0.590469  0.225185  0.306093  1
  Ta  Ta12  1  0.592893  0.695827  0.350735  1
  Ta  Ta13  1  0.935601  0.959594  0.329509  1
  Ta  Ta14  1  0.913286  0.494088  0.284201  1
  Ta  Ta15  1  0.080313  0.178467  0.351882  1
  Ta  Ta16  1  0.092323  0.706654  0.304612  1
  Ta  Ta17  1  0.251233  0.178286  0.305686  1
  Ta  Ta18  1  0.254918  0.660827  0.349120  1
  Ta  Ta19  1  0.782852  0.006995  0.288275  1
  Ta  Ta20  1  0.750338  0.486585  0.332413  1
  Ta  Ta21  1  0.391528  0.257054  0.357067  1
  Ta  Ta22  1  0.401200  0.788926  0.314528  1
  Ta  Ta23  1  0.638732  0.886076  0.329192  1
  Ta  Ta24  1  0.630378  0.409674  0.284644  1
  Ta  Ta25  1  0.744563  0.872429  0.281818  1
  Ta  Ta26  1  0.705393  0.339475  0.325197  1
  Ta  Ta27  1  0.319549  0.325581  0.313496  1
  Ta  Ta28  1  0.310195  0.801793  0.364050  1
  Ta  Ta29  1  0.202007  0.064684  0.343787  1
  Ta  Ta30  1  0.182437  0.584873  0.296986  1
  Ta  Ta31  1  0.820698  0.071631  0.344665  1
  Ta  Ta32  1  0.800069  0.613225  0.300503  1
  Ta  Ta33  1  0.878766  0.139789  0.304290  1
  Ta  Ta34  1  0.905702  0.620971  0.348296  1
  Ta  Ta35  1  0.155260  0.040527  0.294802  1
  Ta  Ta36  1  0.108424  0.515824  0.337109  1
  Ta  Ta37  1  0.491618  0.137691  0.346112  1
  Ta  Ta38  1  0.459789  0.665564  0.299554  1
  Ta  Ta39  1  0.530451  0.004791  0.333735  1
  Ta  Ta40  1  0.530637  0.532596  0.288140  1
  Ta  Ta41  1  0.975154  0.263918  0.310293  1
  Ta  Ta42  1  0.972912  0.741534  0.356923  1
  Ta  Ta43  1  0.085244  0.921649  0.279830  1
  Ta  Ta44  1  0.027202  0.398618  0.322717  1
  Ta  Ta45  1  0.004403  0.307559  0.363396  1
  Ta  Ta46  1  1.001124  0.784521  0.409924  1
  Ta  Ta47  1  0.505533  0.047184  0.387192  1
  Ta  Ta48  1  0.500868  0.523377  0.432455  1
  Ta  Ta49  1  0.753000  0.173397  0.446998  1
  Ta  Ta50  1  0.752704  0.695790  0.401025  1
  Ta  Ta51  1  0.248714  0.872529  0.418295  1
  Ta  Ta52  1  0.243989  0.397279  0.371774  1
  Ta  Ta53  1  0.424070  0.916868  0.376039  1
  Ta  Ta54  1  0.414989  0.393792  0.420602  1
  Ta  Ta55  1  0.583288  0.177738  0.399065  1
  Ta  Ta56  1  0.581233  0.653644  0.444922  1
  Ta  Ta57  1  0.920744  0.915138  0.422709  1
  Ta  Ta58  1  0.906318  0.433816  0.374580  1
  Ta  Ta59  1  0.084543  0.131223  0.443162  1
  Ta  Ta60  1  0.085683  0.655529  0.397620  1
  Ta  Ta61  1  0.256704  0.134921  0.394825  1
  Ta  Ta62  1  0.251999  0.611110  0.440912  1
  Ta  Ta63  1  0.752965  0.959446  0.378786  1
  Ta  Ta64  1  0.749072  0.434596  0.423977  1
  Ta  Ta65  1  0.394792  0.209492  0.449981  1
  Ta  Ta66  1  0.397384  0.732085  0.404619  1
  Ta  Ta67  1  0.608282  0.838056  0.416162  1
  Ta  Ta68  1  0.594277  0.360366  0.371824  1
  Ta  Ta69  1  0.686890  0.808909  0.367582  1
  Ta  Ta70  1  0.695966  0.291136  0.411408  1
  Ta  Ta71  1  0.314604  0.278125  0.408146  1
  Ta  Ta72  1  0.311705  0.754122  0.454571  1
  Ta  Ta73  1  0.192675  0.016018  0.432241  1
  Ta  Ta74  1  0.190621  0.540362  0.386404  1
  Ta  Ta75  1  0.812212  0.030262  0.434014  1
  Ta  Ta76  1  0.812230  0.550789  0.388455  1
  Ta  Ta77  1  0.897660  0.100032  0.393342  1
  Ta  Ta78  1  0.892939  0.576310  0.437772  1
  Ta  Ta79  1  0.108686  0.992139  0.382686  1
  Ta  Ta80  1  0.103856  0.470807  0.427104  1
  Ta  Ta81  1  0.471789  0.090012  0.438990  1
  Ta  Ta82  1  0.472808  0.613330  0.392707  1
  Ta  Ta83  1  0.531743  0.957522  0.426824  1
  Ta  Ta84  1  0.527392  0.481329  0.380365  1
  Ta  Ta85  1  0.975888  0.219087  0.403420  1
  Ta  Ta86  1  0.971805  0.695237  0.449108  1
  Ta  Ta87  1  0.018583  0.873496  0.369951  1
  Ta  Ta88  1  0.033115  0.351261  0.415763  1
  Ta  Ta89  1  0.003143  0.261377  0.455365  1
  Ta  Ta90  1  1.001464  0.737698  0.501122  1
  Ta  Ta91  1  0.502198  0.999713  0.478536  1
  Ta  Ta92  1  0.500927  0.475690  0.523632  1
  Ta  Ta93  1  0.753151  0.126084  0.538172  1
  Ta  Ta94  1  0.751198  0.649719  0.492555  1
  Ta  Ta95  1  0.251792  0.825669  0.509687  1
  Ta  Ta96  1  0.250725  0.349280  0.463881  1
  Ta  Ta97  1  0.420830  0.869142  0.466160  1
  Ta  Ta98  1  0.421385  0.345085  0.511434  1
  Ta  Ta99  1  0.581821  0.130281  0.490593  1
  Ta  Ta100  1  0.582173  0.606261  0.536080  1
  Ta  Ta101  1  0.922037  0.868242  0.513811  1
  Ta  Ta102  1  0.921147  0.391762  0.467656  1
  Ta  Ta103  1  0.082482  0.083542  0.534578  1
  Ta  Ta104  1  0.080909  0.607169  0.488423  1
  Ta  Ta105  1  0.251921  0.087533  0.486857  1
  Ta  Ta106  1  0.251325  0.563955  0.531929  1
  Ta  Ta107  1  0.751711  0.911441  0.470289  1
  Ta  Ta108  1  0.751222  0.387802  0.515273  1
  Ta  Ta109  1  0.395152  0.160997  0.541258  1
  Ta  Ta110  1  0.393538  0.685061  0.495830  1
  Ta  Ta111  1  0.609459  0.790303  0.506425  1
  Ta  Ta112  1  0.608527  0.314291  0.460680  1
  Ta  Ta113  1  0.692222  0.768040  0.456674  1
  Ta  Ta114  1  0.692031  0.245115  0.501890  1
  Ta  Ta115  1  0.311298  0.230261  0.500079  1
  Ta  Ta116  1  0.310681  0.707345  0.545580  1
  Ta  Ta117  1  0.192384  0.968589  0.523363  1
  Ta  Ta118  1  0.191006  0.492157  0.477081  1
  Ta  Ta119  1  0.812222  0.983260  0.525204  1
  Ta  Ta120  1  0.810745  0.506728  0.478859  1
  Ta  Ta121  1  0.894254  0.052125  0.483752  1
  Ta  Ta122  1  0.893430  0.528484  0.528717  1
  Ta  Ta123  1  0.109649  0.946901  0.473492  1
  Ta  Ta124  1  0.108967  0.423174  0.518461  1
  Ta  Ta125  1  0.472119  0.041857  0.530281  1
  Ta  Ta126  1  0.470844  0.565744  0.484406  1
  Ta  Ta127  1  0.532422  0.909632  0.517803  1
  Ta  Ta128  1  0.530940  0.433455  0.471860  1
  Ta  Ta129  1  0.971677  0.171491  0.494728  1
  Ta  Ta130  1  0.970848  0.647882  0.540243  1
  Ta  Ta131  1  0.032079  0.827507  0.462003  1
  Ta  Ta132  1  0.031678  0.303834  0.507350  1
  Ta  Ta133  1  1.000301  0.213941  0.546690  1
  Ta  Ta134  1  1.001881  0.690891  0.592352  1
  Ta  Ta135  1  0.502113  0.951926  0.569758  1
  Ta  Ta136  1  0.497439  0.428333  0.614947  1
  Ta  Ta137  1  0.760731  0.077870  0.630487  1
  Ta  Ta138  1  0.754235  0.602904  0.583944  1
  Ta  Ta139  1  0.249911  0.779800  0.601265  1
  Ta  Ta140  1  0.249845  0.302003  0.555062  1
  Ta  Ta141  1  0.421737  0.821706  0.557321  1
  Ta  Ta142  1  0.420084  0.298056  0.602868  1
  Ta  Ta143  1  0.590005  0.081044  0.581342  1
  Ta  Ta144  1  0.578902  0.558523  0.626183  1
  Ta  Ta145  1  0.916588  0.819779  0.604559  1
  Ta  Ta146  1  0.918569  0.344105  0.558964  1
  Ta  Ta147  1  0.097765  0.043046  0.628418  1
  Ta  Ta148  1  0.082216  0.560278  0.579506  1
  Ta  Ta149  1  0.254386  0.040848  0.578348  1
  Ta  Ta150  1  0.249932  0.515924  0.623430  1
  Ta  Ta151  1  0.750894  0.864308  0.561338  1
  Ta  Ta152  1  0.746613  0.340666  0.607234  1
  Ta  Ta153  1  0.411632  0.115243  0.629534  1
  Ta  Ta154  1  0.394551  0.637349  0.586093  1
  Ta  Ta155  1  0.605022  0.743309  0.597664  1
  Ta  Ta156  1  0.608054  0.266122  0.551927  1
  Ta  Ta157  1  0.691227  0.721265  0.547704  1
  Ta  Ta158  1  0.689696  0.197071  0.593456  1
  Ta  Ta159  1  0.307811  0.185054  0.590359  1
  Ta  Ta160  1  0.316355  0.666522  0.634686  1
  Ta  Ta161  1  0.189907  0.925666  0.613674  1
  Ta  Ta162  1  0.190742  0.445141  0.568196  1
  Ta  Ta163  1  0.812277  0.935018  0.615969  1
  Ta  Ta164  1  0.810422  0.459366  0.569934  1
  Ta  Ta165  1  0.900438  0.004442  0.575243  1
  Ta  Ta166  1  0.894352  0.483243  0.619494  1
  Ta  Ta167  1  0.110171  0.898973  0.564458  1
  Ta  Ta168  1  0.105323  0.375187  0.608832  1
  Ta  Ta169  1  0.476345  0.993953  0.621876  1
  Ta  Ta170  1  0.471220  0.517929  0.575370  1
  Ta  Ta171  1  0.529487  0.862084  0.609557  1
  Ta  Ta172  1  0.531166  0.385531  0.563079  1
  Ta  Ta173  1  0.971553  0.124037  0.586575  1
  Ta  Ta174  1  0.984356  0.601877  0.632277  1
  Ta  Ta175  1  0.031081  0.780116  0.553128  1
  Ta  Ta176  1  0.026464  0.256050  0.598746  1
  Ta  Ta177  1  0.995674  0.167584  0.639516  1
  Ta  Ta178  1  0.989079  0.643748  0.683626  1
  Ta  Ta179  1  0.508443  0.904092  0.661882  1
  Ta  Ta180  1  0.487798  0.383028  0.706149  1
  Ta  Ta181  1  0.749348  0.024691  0.718386  1
  Ta  Ta182  1  0.737207  0.555146  0.673202  1
  Ta  Ta183  1  0.255464  0.724145  0.692705  1
  Ta  Ta184  1  0.249305  0.254116  0.646358  1
  Ta  Ta185  1  0.408132  0.779861  0.651760  1
  Ta  Ta186  1  0.410995  0.250141  0.695777  1
  Ta  Ta187  1  0.581602  0.034980  0.672948  1
  Ta  Ta188  1  0.555003  0.519388  0.718174  1
  Ta  Ta189  1  0.911921  0.768022  0.697568  1
  Ta  Ta190  1  0.922057  0.296728  0.650299  1
  Ta  Ta191  1  0.090258  0.977958  0.717692  1
  Ta  Ta192  1  0.067205  0.515517  0.672713  1
  Ta  Ta193  1  0.252779  0.988530  0.669768  1
  Ta  Ta194  1  0.219863  0.467710  0.713901  1
  Ta  Ta195  1  0.747317  0.813947  0.653024  1
  Ta  Ta196  1  0.751219  0.296085  0.696224  1
  Ta  Ta197  1  0.369127  0.064602  0.715836  1
  Ta  Ta198  1  0.364021  0.589018  0.672997  1
  Ta  Ta199  1  0.602844  0.685593  0.687821  1
  Ta  Ta200  1  0.609422  0.220047  0.643794  1
  Ta  Ta201  1  0.692757  0.673617  0.638214  1
  Ta  Ta202  1  0.677993  0.150857  0.685656  1
  Ta  Ta203  1  0.301083  0.136314  0.675755  1
  Ta  Ta204  1  0.258789  0.601935  0.720475  1
  Ta  Ta205  1  0.205789  0.860419  0.701229  1
  Ta  Ta206  1  0.181653  0.403610  0.657542  1
  Ta  Ta207  1  0.822282  0.889745  0.704490  1
  Ta  Ta208  1  0.800653  0.410586  0.658326  1
  Ta  Ta209  1  0.896379  0.961418  0.665137  1
  Ta  Ta210  1  0.847573  0.434307  0.707334  1
  Ta  Ta211  1  0.095080  0.855144  0.653665  1
  Ta  Ta212  1  0.123021  0.334912  0.697819  1
  Ta  Ta213  1  0.471633  0.942077  0.714141  1
  Ta  Ta214  1  0.472180  0.470441  0.668461  1
  Ta  Ta215  1  0.545337  0.808959  0.702788  1
  Ta  Ta216  1  0.510433  0.337996  0.655970  1
  Ta  Ta217  1  0.982595  0.078117  0.682668  1
  Ta  Ta218  1  0.917631  0.553183  0.722395  1
  Ta  Ta219  1  0.030580  0.733891  0.645399  1
  Ta  Ta220  1  0.028145  0.210880  0.691844  1
