# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71005223
_cell_length_b   21.80025990
_cell_length_c   51.48172418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06613962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8653.10124869
_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  0.978579  0.376693  0.318739  1
  Ta  Ta2  1  0.958688  0.909853  0.274738  1
  Ta  Ta3  1  0.487759  0.116433  0.339307  1
  Ta  Ta4  1  0.487565  0.634526  0.295264  1
  Ta  Ta5  1  0.911982  0.049040  0.287508  1
  Ta  Ta6  1  0.916420  0.530168  0.333472  1
  Ta  Ta7  1  0.076401  0.259413  0.301614  1
  Ta  Ta8  1  0.078927  0.737318  0.347248  1
  Ta  Ta9  1  0.737322  0.030500  0.332233  1
  Ta  Ta10  1  0.742679  0.548784  0.288664  1
  Ta  Ta11  1  0.231243  0.202214  0.342134  1
  Ta  Ta12  1  0.220823  0.718821  0.296951  1
  Ta  Ta13  1  0.715163  0.301806  0.302829  1
  Ta  Ta14  1  0.732352  0.770765  0.349815  1
  Ta  Ta15  1  0.236116  0.987859  0.284009  1
  Ta  Ta16  1  0.226753  0.464487  0.328680  1
  Ta  Ta17  1  0.575568  0.237795  0.346570  1
  Ta  Ta18  1  0.576203  0.758488  0.302130  1
  Ta  Ta19  1  0.427334  0.964530  0.327678  1
  Ta  Ta20  1  0.417136  0.488165  0.284968  1
  Ta  Ta21  1  0.166791  0.135260  0.294023  1
  Ta  Ta22  1  0.166673  0.615800  0.340756  1
  Ta  Ta23  1  0.769008  0.170937  0.299788  1
  Ta  Ta24  1  0.738879  0.641578  0.345371  1
  Ta  Ta25  1  0.171113  0.051326  0.333166  1
  Ta  Ta26  1  0.155987  0.579118  0.290791  1
  Ta  Ta27  1  0.916938  0.141358  0.343814  1
  Ta  Ta28  1  0.884053  0.670226  0.300933  1
  Ta  Ta29  1  0.390916  0.351321  0.313716  1
  Ta  Ta30  1  0.410379  0.824896  0.359748  1
  Ta  Ta31  1  0.643121  0.966004  0.282504  1
  Ta  Ta32  1  0.660950  0.442315  0.324523  1
  Ta  Ta33  1  0.243555  0.324492  0.360242  1
  Ta  Ta34  1  0.261743  0.851357  0.313309  1
  Ta  Ta35  1  0.675085  0.876559  0.318067  1
  Ta  Ta36  1  0.694885  0.411099  0.275222  1
  Ta  Ta37  1  0.433193  0.219689  0.295998  1
  Ta  Ta38  1  0.423261  0.701473  0.343239  1
  Ta  Ta39  1  0.497945  0.079022  0.289465  1
  Ta  Ta40  1  0.483870  0.551111  0.334558  1
  Ta  Ta41  1  -0.007383  0.942381  0.323831  1
  Ta  Ta42  1  0.011888  0.466128  0.283341  1
  Ta  Ta43  1  0.921031  0.270283  0.349653  1
  Ta  Ta44  1  0.938503  0.800943  0.302986  1
  Ta  Ta45  1  0.982017  0.330132  0.407905  1
  Ta  Ta46  1  -0.013399  0.854016  0.361751  1
  Ta  Ta47  1  0.485712  0.068448  0.429596  1
  Ta  Ta48  1  0.481325  0.590942  0.385747  1
  Ta  Ta49  1  0.922171  1.005946  0.377176  1
  Ta  Ta50  1  0.919286  0.481911  0.423224  1
  Ta  Ta51  1  0.075685  0.212386  0.393712  1
  Ta  Ta52  1  0.077916  0.688241  0.440877  1
  Ta  Ta53  1  0.734677  0.982628  0.422038  1
  Ta  Ta54  1  0.731745  0.505503  0.378456  1
  Ta  Ta55  1  0.229611  0.153406  0.435583  1
  Ta  Ta56  1  0.230872  0.678487  0.390558  1
  Ta  Ta57  1  0.727111  0.248707  0.396362  1
  Ta  Ta58  1  0.731905  0.722393  0.443360  1
  Ta  Ta59  1  0.235644  0.938657  0.370963  1
  Ta  Ta60  1  0.232022  0.414917  0.416709  1
  Ta  Ta61  1  0.574666  0.189194  0.439895  1
  Ta  Ta62  1  0.576868  0.711967  0.394456  1
  Ta  Ta63  1  0.422679  0.915369  0.415722  1
  Ta  Ta64  1  0.418443  0.438096  0.371879  1
  Ta  Ta65  1  0.172971  0.091468  0.384252  1
  Ta  Ta66  1  0.169523  0.567416  0.431094  1
  Ta  Ta67  1  0.743846  0.121279  0.388194  1
  Ta  Ta68  1  0.741578  0.594950  0.434144  1
  Ta  Ta69  1  0.170049  1.003317  0.423575  1
  Ta  Ta70  1  0.164587  0.527144  0.380058  1
  Ta  Ta71  1  0.913844  0.094078  0.432212  1
  Ta  Ta72  1  0.910937  0.619561  0.389699  1
  Ta  Ta73  1  0.406248  0.301783  0.405933  1
  Ta  Ta74  1  0.411149  0.778602  0.450269  1
  Ta  Ta75  1  0.668647  0.918009  0.368676  1
  Ta  Ta76  1  0.664666  0.394340  0.413950  1
  Ta  Ta77  1  0.242083  0.277418  0.451215  1
  Ta  Ta78  1  0.244900  0.802545  0.405208  1
  Ta  Ta79  1  0.672103  0.830426  0.407279  1
  Ta  Ta80  1  0.667262  0.353818  0.362220  1
  Ta  Ta81  1  0.422926  0.179070  0.389163  1
  Ta  Ta82  1  0.423541  0.653074  0.437320  1
  Ta  Ta83  1  0.490427  0.027963  0.378691  1
  Ta  Ta84  1  0.485715  0.503010  0.425042  1
  Ta  Ta85  1  -0.011429  0.894726  0.413312  1
  Ta  Ta86  1  0.985041  0.417637  0.369426  1
  Ta  Ta87  1  0.919666  0.221029  0.442880  1
  Ta  Ta88  1  0.924941  0.747321  0.396568  1
  Ta  Ta89  1  0.984211  0.284413  0.498717  1
  Ta  Ta90  1  0.983950  0.807721  0.452636  1
  Ta  Ta91  1  0.484835  1.021924  0.519963  1
  Ta  Ta92  1  0.482931  0.543972  0.476199  1
  Ta  Ta93  1  0.920551  0.959772  0.466977  1
  Ta  Ta94  1  0.920271  0.436173  0.513164  1
  Ta  Ta95  1  0.073849  0.164814  0.485852  1
  Ta  Ta96  1  0.076179  0.640661  0.533440  1
  Ta  Ta97  1  0.733181  0.936344  0.511822  1
  Ta  Ta98  1  0.732967  0.458703  0.468178  1
  Ta  Ta99  1  0.227285  0.104729  0.527649  1
  Ta  Ta100  1  0.231085  0.629755  0.484126  1
  Ta  Ta101  1  0.724948  0.203465  0.489721  1
  Ta  Ta102  1  0.730675  0.675239  0.537116  1
  Ta  Ta103  1  0.235393  0.892797  0.460692  1
  Ta  Ta104  1  0.233706  0.369368  0.507055  1
  Ta  Ta105  1  0.574501  0.142139  0.532037  1
  Ta  Ta106  1  0.577208  0.664205  0.487110  1
  Ta  Ta107  1  0.420779  0.869330  0.505748  1
  Ta  Ta108  1  0.418454  0.391693  0.461725  1
  Ta  Ta109  1  0.172231  0.044692  0.474588  1
  Ta  Ta110  1  0.170754  0.521046  0.521583  1
  Ta  Ta111  1  0.747088  0.076840  0.477650  1
  Ta  Ta112  1  0.742815  0.549847  0.523567  1
  Ta  Ta113  1  0.168030  0.956992  0.513912  1
  Ta  Ta114  1  0.166058  0.479786  0.470346  1
  Ta  Ta115  1  0.910599  0.047985  0.522260  1
  Ta  Ta116  1  0.911734  0.572316  0.478742  1
  Ta  Ta117  1  0.405870  0.256504  0.496705  1
  Ta  Ta118  1  0.411243  0.732990  0.540019  1
  Ta  Ta119  1  0.667018  0.871402  0.458538  1
  Ta  Ta120  1  0.666043  0.348505  0.504698  1
  Ta  Ta121  1  0.243652  0.230174  0.541801  1
  Ta  Ta122  1  0.242553  0.756347  0.495266  1
  Ta  Ta123  1  0.670851  0.784262  0.497978  1
  Ta  Ta124  1  0.670314  0.307543  0.453227  1
  Ta  Ta125  1  0.422416  0.131485  0.482118  1
  Ta  Ta126  1  0.423116  0.605731  0.530784  1
  Ta  Ta127  1  0.490815  0.981427  0.468919  1
  Ta  Ta128  1  0.487390  0.457163  0.515650  1
  Ta  Ta129  1  -0.013014  0.848298  0.503891  1
  Ta  Ta130  1  -0.013043  0.370718  0.459223  1
  Ta  Ta131  1  0.919903  0.174250  0.535158  1
  Ta  Ta132  1  0.923115  0.698742  0.490281  1
  Ta  Ta133  1  -0.014622  0.238275  0.588646  1
  Ta  Ta134  1  0.982445  0.761374  0.543526  1
  Ta  Ta135  1  0.480678  0.973903  0.610744  1
  Ta  Ta136  1  0.483809  0.497974  0.567023  1
  Ta  Ta137  1  0.918833  0.913715  0.556966  1
  Ta  Ta138  1  0.923765  0.391355  0.602708  1
  Ta  Ta139  1  0.074204  0.117281  0.577617  1
  Ta  Ta140  1  0.078938  0.593701  0.626887  1
  Ta  Ta141  1  0.731505  0.889339  0.601741  1
  Ta  Ta142  1  0.734182  0.413169  0.558216  1
  Ta  Ta143  1  0.228104  0.056385  0.621765  1
  Ta  Ta144  1  0.231175  0.582443  0.577621  1
  Ta  Ta145  1  0.731230  0.153332  0.582584  1
  Ta  Ta146  1  0.732865  0.627695  0.632473  1
  Ta  Ta147  1  0.233140  0.846790  0.550758  1
  Ta  Ta148  1  0.237688  0.323817  0.597371  1
  Ta  Ta149  1  0.572555  0.094331  0.623403  1
  Ta  Ta150  1  0.578104  0.616955  0.579748  1
  Ta  Ta151  1  0.418675  0.823258  0.595784  1
  Ta  Ta152  1  0.420619  0.346390  0.552029  1
  Ta  Ta153  1  0.171324  0.998431  0.565200  1
  Ta  Ta154  1  0.171120  0.475137  0.612815  1
  Ta  Ta155  1  0.737729  0.028884  0.566910  1
  Ta  Ta156  1  0.745670  0.504345  0.613231  1
  Ta  Ta157  1  0.163793  0.910507  0.604404  1
  Ta  Ta158  1  0.168107  0.434283  0.561123  1
  Ta  Ta159  1  0.909864  1.004709  0.610911  1
  Ta  Ta160  1  0.912887  0.526813  0.568270  1
  Ta  Ta161  1  0.423664  0.214217  0.586112  1
  Ta  Ta162  1  0.419683  0.687691  0.626843  1
  Ta  Ta163  1  0.665556  0.825080  0.549278  1
  Ta  Ta164  1  0.673336  0.301713  0.596867  1
  Ta  Ta165  1  0.234142  0.186668  0.626814  1
  Ta  Ta166  1  0.237179  0.710654  0.584190  1
  Ta  Ta167  1  0.670948  0.738045  0.589279  1
  Ta  Ta168  1  0.672549  0.261837  0.544557  1
  Ta  Ta169  1  0.417180  0.086931  0.574845  1
  Ta  Ta170  1  0.426065  0.557225  0.623823  1
  Ta  Ta171  1  0.486928  0.934956  0.559331  1
  Ta  Ta172  1  0.490174  0.410742  0.606304  1
  Ta  Ta173  1  0.984704  0.801310  0.594892  1
  Ta  Ta174  1  -0.010342  0.325282  0.549747  1
  Ta  Ta175  1  0.919998  0.127500  0.628181  1
  Ta  Ta176  1  0.921296  0.650154  0.584298  1
  Ta  Ta177  1  0.976982  0.186788  0.679578  1
  Ta  Ta178  1  0.982196  0.713955  0.634727  1
  Ta  Ta179  1  0.476501  0.925724  0.702101  1
  Ta  Ta180  1  0.479136  0.444690  0.658467  1
  Ta  Ta181  1  0.915104  0.865377  0.647287  1
  Ta  Ta182  1  0.872937  0.308656  0.689428  1
  Ta  Ta183  1  0.069055  0.066529  0.670320  1
  Ta  Ta184  1  0.059705  0.520025  0.717470  1
  Ta  Ta185  1  0.734235  0.841782  0.691248  1
  Ta  Ta186  1  0.747601  0.369602  0.647699  1
  Ta  Ta187  1  0.195071  1.003162  0.713460  1
  Ta  Ta188  1  0.226220  0.527255  0.670506  1
  Ta  Ta189  1  0.721167  0.098511  0.673167  1
  Ta  Ta190  1  0.722158  0.560862  0.717922  1
  Ta  Ta191  1  0.229995  0.799761  0.640656  1
  Ta  Ta192  1  0.239217  0.265314  0.687011  1
  Ta  Ta193  1  0.550732  0.062943  0.716960  1
  Ta  Ta194  1  0.583228  0.562863  0.671511  1
  Ta  Ta195  1  0.407623  0.781641  0.685645  1
  Ta  Ta196  1  0.423477  0.296481  0.643553  1
  Ta  Ta197  1  0.160986  0.950482  0.655817  1
  Ta  Ta198  1  0.139941  0.403573  0.700349  1
  Ta  Ta199  1  0.737051  0.976652  0.653620  1
  Ta  Ta200  1  0.767142  0.436325  0.702662  1
  Ta  Ta201  1  0.141128  0.869847  0.694733  1
  Ta  Ta202  1  0.161563  0.384469  0.650294  1
  Ta  Ta203  1  0.848520  0.970037  0.701115  1
  Ta  Ta204  1  0.894068  0.491732  0.660492  1
  Ta  Ta205  1  0.387546  0.150473  0.668377  1
  Ta  Ta206  1  0.360275  0.600104  0.712867  1
  Ta  Ta207  1  0.663187  0.775920  0.641865  1
  Ta  Ta208  1  0.615487  0.210892  0.697986  1
  Ta  Ta209  1  0.250529  0.132011  0.714329  1
  Ta  Ta210  1  0.274991  0.664617  0.670836  1
  Ta  Ta211  1  0.656515  0.688286  0.682267  1
  Ta  Ta212  1  0.680231  0.216990  0.640261  1
  Ta  Ta213  1  0.426402  0.024439  0.670267  1
  Ta  Ta214  1  0.428957  0.476505  0.712667  1
  Ta  Ta215  1  0.480429  0.885654  0.650875  1
  Ta  Ta216  1  0.503518  0.347756  0.693006  1
  Ta  Ta217  1  -0.003566  0.754385  0.684298  1
  Ta  Ta218  1  -0.000927  0.276855  0.639380  1
  Ta  Ta219  1  0.901758  0.097480  0.718882  1
  Ta  Ta220  1  0.957399  0.615128  0.682646  1
