# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46173407
_cell_length_b   17.97161336
_cell_length_c   52.93105087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04161963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   7098.02027249
_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  0.963106  0.567075  0.253911  1
  Ta  Ta2  1  0.997296  0.163869  0.361236  1
  Ta  Ta3  1  0.001830  0.369003  0.305103  1
  Ta  Ta4  1  0.493770  0.869010  0.305104  1
  Ta  Ta5  1  0.532353  0.067123  0.253911  1
  Ta  Ta6  1  0.498508  0.663866  0.361233  1
  Ta  Ta7  1  0.918749  0.683244  0.294407  1
  Ta  Ta8  1  0.920364  0.267437  0.406794  1
  Ta  Ta9  1  0.919397  0.474252  0.351531  1
  Ta  Ta10  1  0.076655  0.853127  0.371381  1
  Ta  Ta11  1  0.072440  0.059988  0.315995  1
  Ta  Ta12  1  0.072422  0.263881  0.261301  1
  Ta  Ta13  1  0.758507  0.807468  0.276269  1
  Ta  Ta14  1  0.749444  0.389339  0.387114  1
  Ta  Ta15  1  0.753727  0.597594  0.331494  1
  Ta  Ta16  1  0.246146  0.938306  0.335471  1
  Ta  Ta17  1  0.253367  0.144139  0.280504  1
  Ta  Ta18  1  0.245450  0.730658  0.391171  1
  Ta  Ta19  1  0.746461  0.889375  0.387098  1
  Ta  Ta20  1  0.742058  0.097599  0.331489  1
  Ta  Ta21  1  0.736983  0.307486  0.276257  1
  Ta  Ta22  1  0.242208  0.644055  0.280519  1
  Ta  Ta23  1  0.250403  0.230627  0.391188  1
  Ta  Ta24  1  0.249491  0.438271  0.335488  1
  Ta  Ta25  1  0.576293  0.974259  0.351538  1
  Ta  Ta26  1  0.576988  0.183193  0.294417  1
  Ta  Ta27  1  0.575539  0.767451  0.406798  1
  Ta  Ta28  1  0.422923  0.763898  0.261312  1
  Ta  Ta29  1  0.419181  0.353125  0.371381  1
  Ta  Ta30  1  0.423263  0.559962  0.315998  1
  Ta  Ta31  1  0.182270  0.764455  0.332356  1
  Ta  Ta32  1  0.181809  0.979088  0.276456  1
  Ta  Ta33  1  0.182958  0.557959  0.388063  1
  Ta  Ta34  1  0.812727  0.769904  0.333985  1
  Ta  Ta35  1  0.805387  0.967478  0.277860  1
  Ta  Ta36  1  0.812472  0.563179  0.390365  1
  Ta  Ta37  1  0.130364  0.828550  0.287274  1
  Ta  Ta38  1  0.125958  0.412459  0.397758  1
  Ta  Ta39  1  0.126896  0.619401  0.342029  1
  Ta  Ta40  1  0.870420  0.916000  0.324782  1
  Ta  Ta41  1  0.870026  0.118582  0.272885  1
  Ta  Ta42  1  0.869382  0.708518  0.380325  1
  Ta  Ta43  1  0.369998  0.912476  0.397755  1
  Ta  Ta44  1  0.368917  0.119420  0.342027  1
  Ta  Ta45  1  0.365161  0.328566  0.287274  1
  Ta  Ta46  1  0.625577  0.618573  0.272893  1
  Ta  Ta47  1  0.626400  0.208498  0.380329  1
  Ta  Ta48  1  0.625157  0.415983  0.324784  1
  Ta  Ta49  1  0.312890  0.057945  0.388061  1
  Ta  Ta50  1  0.313437  0.264443  0.332359  1
  Ta  Ta51  1  0.313711  0.479073  0.276455  1
  Ta  Ta52  1  0.683439  0.063193  0.390369  1
  Ta  Ta53  1  0.683013  0.269922  0.333989  1
  Ta  Ta54  1  0.690144  0.467478  0.277858  1
  Ta  Ta55  1  0.498498  0.819574  0.356303  1
  Ta  Ta56  1  0.499155  0.024279  0.301487  1
  Ta  Ta57  1  0.497347  0.612631  0.412107  1
  Ta  Ta58  1  0.496150  0.715169  0.310271  1
  Ta  Ta59  1  0.480568  0.913658  0.255875  1
  Ta  Ta60  1  0.497962  0.508002  0.366320  1
  Ta  Ta61  1  0.998627  0.112634  0.412114  1
  Ta  Ta62  1  0.997309  0.319584  0.356309  1
  Ta  Ta63  1  0.996454  0.524286  0.301489  1
  Ta  Ta64  1  0.997823  0.007996  0.366315  1
  Ta  Ta65  1  0.999490  0.215168  0.310272  1
  Ta  Ta66  1  0.014843  0.413625  0.255870  1
  Ta  Ta67  1  0.998134  0.956735  0.417037  1
  Ta  Ta68  1  0.997998  0.542463  0.528389  1
  Ta  Ta69  1  0.998010  0.749566  0.472681  1
  Ta  Ta70  1  0.498120  0.249565  0.472682  1
  Ta  Ta71  1  0.497832  0.456737  0.417038  1
  Ta  Ta72  1  0.498302  0.042462  0.528389  1
  Ta  Ta73  1  0.920313  0.060435  0.462461  1
  Ta  Ta74  1  0.920303  0.646435  0.573975  1
  Ta  Ta75  1  0.920324  0.853326  0.518218  1
  Ta  Ta76  1  0.076018  0.231532  0.538557  1
  Ta  Ta77  1  0.075821  0.438702  0.482899  1
  Ta  Ta78  1  0.075810  0.645960  0.427199  1
  Ta  Ta79  1  0.750563  0.182708  0.442733  1
  Ta  Ta80  1  0.750496  0.768394  0.554160  1
  Ta  Ta81  1  0.750750  0.975572  0.498453  1
  Ta  Ta82  1  0.245673  0.316449  0.502626  1
  Ta  Ta83  1  0.245274  0.523617  0.446937  1
  Ta  Ta84  1  0.246015  0.109348  0.558341  1
  Ta  Ta85  1  0.745918  0.268430  0.554144  1
  Ta  Ta86  1  0.745496  0.475608  0.498438  1
  Ta  Ta87  1  0.745514  0.682745  0.442716  1
  Ta  Ta88  1  0.250746  0.023580  0.446952  1
  Ta  Ta89  1  0.250343  0.609315  0.558355  1
  Ta  Ta90  1  0.250513  0.816412  0.502641  1
  Ta  Ta91  1  0.575930  0.353336  0.518221  1
  Ta  Ta92  1  0.575775  0.560445  0.462463  1
  Ta  Ta93  1  0.576122  0.146442  0.573976  1
  Ta  Ta94  1  0.420204  0.145949  0.427197  1
  Ta  Ta95  1  0.420335  0.731521  0.538554  1
  Ta  Ta96  1  0.420363  0.938689  0.482895  1
  Ta  Ta97  1  0.183662  0.143645  0.499430  1
  Ta  Ta98  1  0.183270  0.350794  0.443742  1
  Ta  Ta99  1  0.183569  0.936339  0.555101  1
  Ta  Ta100  1  0.813030  0.148289  0.501640  1
  Ta  Ta101  1  0.812572  0.355380  0.445938  1
  Ta  Ta102  1  0.812825  0.941253  0.557382  1
  Ta  Ta103  1  0.126562  0.205392  0.453460  1
  Ta  Ta104  1  0.126615  0.790909  0.564889  1
  Ta  Ta105  1  0.126696  0.998269  0.509160  1
  Ta  Ta106  1  0.869540  0.293743  0.491930  1
  Ta  Ta107  1  0.869366  0.500797  0.436227  1
  Ta  Ta108  1  0.869726  0.086705  0.547666  1
  Ta  Ta109  1  0.369862  0.290930  0.564885  1
  Ta  Ta110  1  0.369616  0.498289  0.509158  1
  Ta  Ta111  1  0.369578  0.705410  0.453456  1
  Ta  Ta112  1  0.626596  1.000777  0.436231  1
  Ta  Ta113  1  0.626576  0.586688  0.547669  1
  Ta  Ta114  1  0.626590  0.793723  0.491932  1
  Ta  Ta115  1  0.312785  0.436328  0.555099  1
  Ta  Ta116  1  0.312521  0.643630  0.499426  1
  Ta  Ta117  1  0.312746  0.850777  0.443739  1
  Ta  Ta118  1  0.683586  0.441268  0.557384  1
  Ta  Ta119  1  0.683214  0.648302  0.501642  1
  Ta  Ta120  1  0.683506  0.855394  0.445941  1
  Ta  Ta121  1  0.498270  0.198287  0.523508  1
  Ta  Ta122  1  0.497877  0.405405  0.467820  1
  Ta  Ta123  1  0.498102  0.991359  0.579184  1
  Ta  Ta124  1  0.498431  0.093711  0.477572  1
  Ta  Ta125  1  0.497864  0.300853  0.421829  1
  Ta  Ta126  1  0.498429  0.886598  0.533244  1
  Ta  Ta127  1  0.998369  0.491364  0.579189  1
  Ta  Ta128  1  0.998037  0.698293  0.523513  1
  Ta  Ta129  1  0.998265  0.905410  0.467824  1
  Ta  Ta130  1  0.997863  0.386593  0.533239  1
  Ta  Ta131  1  0.997690  0.593707  0.477567  1
  Ta  Ta132  1  0.998090  0.800847  0.421822  1
  Ta  Ta133  1  0.998728  0.335354  0.584004  1
  Ta  Ta134  1  0.996347  0.920889  0.695162  1
  Ta  Ta135  1  1.000615  0.128361  0.639815  1
  Ta  Ta136  1  0.496040  0.628363  0.639817  1
  Ta  Ta137  1  0.497742  0.835354  0.584004  1
  Ta  Ta138  1  0.500473  0.420869  0.695160  1
  Ta  Ta139  1  0.920005  0.438470  0.629265  1
  Ta  Ta140  1  0.924195  0.028823  0.739789  1
  Ta  Ta141  1  0.919365  0.230556  0.684533  1
  Ta  Ta142  1  0.078478  0.605874  0.705956  1
  Ta  Ta143  1  0.077230  0.817452  0.650855  1
  Ta  Ta144  1  0.075851  0.024161  0.594205  1
  Ta  Ta145  1  0.750538  0.561635  0.609906  1
  Ta  Ta146  1  0.742822  0.146473  0.719702  1
  Ta  Ta147  1  0.750833  0.353429  0.665462  1
  Ta  Ta148  1  0.242803  0.695341  0.670349  1
  Ta  Ta149  1  0.244979  0.901681  0.614093  1
  Ta  Ta150  1  0.240304  0.483600  0.724692  1
  Ta  Ta151  1  0.754056  0.646551  0.719692  1
  Ta  Ta152  1  0.745934  0.853478  0.665444  1
  Ta  Ta153  1  0.746045  0.061672  0.609890  1
  Ta  Ta154  1  0.251549  0.401653  0.614105  1
  Ta  Ta155  1  0.256615  0.983577  0.724711  1
  Ta  Ta156  1  0.253878  0.195329  0.670359  1
  Ta  Ta157  1  0.577399  0.730577  0.684528  1
  Ta  Ta158  1  0.576590  0.938483  0.629265  1
  Ta  Ta159  1  0.572857  0.528804  0.739783  1
  Ta  Ta160  1  0.420657  0.524161  0.594203  1
  Ta  Ta161  1  0.418236  0.105904  0.705948  1
  Ta  Ta162  1  0.419472  0.317446  0.650850  1
  Ta  Ta163  1  0.184914  0.521562  0.666408  1
  Ta  Ta164  1  0.182039  0.730080  0.611110  1
  Ta  Ta165  1  0.188734  0.325817  0.722332  1
  Ta  Ta166  1  0.814629  0.527975  0.668016  1
  Ta  Ta167  1  0.811882  0.733849  0.613242  1
  Ta  Ta168  1  0.821706  0.316700  0.723176  1
  Ta  Ta169  1  0.127402  0.584167  0.620513  1
  Ta  Ta170  1  0.121195  0.173194  0.726659  1
  Ta  Ta171  1  0.123842  0.376531  0.675958  1
  Ta  Ta172  1  0.874104  0.673212  0.659261  1
  Ta  Ta173  1  0.870080  0.879044  0.603266  1
  Ta  Ta174  1  0.866020  0.465508  0.713334  1
  Ta  Ta175  1  0.375667  0.673196  0.726649  1
  Ta  Ta176  1  0.372969  0.876529  0.675966  1
  Ta  Ta177  1  0.369227  0.084186  0.620511  1
  Ta  Ta178  1  0.626392  0.379031  0.603269  1
  Ta  Ta179  1  0.630848  0.965499  0.713335  1
  Ta  Ta180  1  0.622522  0.173196  0.659260  1
  Ta  Ta181  1  0.308187  0.825812  0.722348  1
  Ta  Ta182  1  0.311803  0.021525  0.666404  1
  Ta  Ta183  1  0.314489  0.230069  0.611106  1
  Ta  Ta184  1  0.675208  0.816715  0.723173  1
  Ta  Ta185  1  0.682125  0.027997  0.668016  1
  Ta  Ta186  1  0.684697  0.233867  0.613241  1
  Ta  Ta187  1  0.500648  0.575068  0.690458  1
  Ta  Ta188  1  0.497217  0.783979  0.634700  1
  Ta  Ta189  1  0.518303  0.379677  0.743578  1
  Ta  Ta190  1  0.499572  0.472182  0.644385  1
  Ta  Ta191  1  0.497005  0.679542  0.589028  1
  Ta  Ta192  1  0.495998  0.264053  0.702991  1
  Ta  Ta193  1  0.978678  0.879709  0.743584  1
  Ta  Ta194  1  0.996192  0.075074  0.690457  1
  Ta  Ta195  1  0.999419  0.283978  0.634705  1
  Ta  Ta196  1  1.000890  0.764074  0.702981  1
  Ta  Ta197  1  0.997052  0.972176  0.644380  1
  Ta  Ta198  1  0.999463  0.179533  0.589023  1
