# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90938745
_cell_length_b   17.44623709
_cell_length_c   51.25612791
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04087193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   7072.78253164
_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  0.057834  0.677881  0.295408  1
  Ta  Ta2  1  0.076111  0.241284  0.409908  1
  Ta  Ta3  1  0.079550  0.455972  0.353165  1
  Ta  Ta4  1  0.578952  0.955822  0.354715  1
  Ta  Ta5  1  0.576058  0.169849  0.298850  1
  Ta  Ta6  1  0.577983  0.739667  0.410381  1
  Ta  Ta7  1  0.980088  0.761959  0.338920  1
  Ta  Ta8  1  0.051440  0.984573  0.285991  1
  Ta  Ta9  1  0.980067  0.544681  0.395706  1
  Ta  Ta10  1  0.139152  0.910417  0.412536  1
  Ta  Ta11  1  0.138159  0.124641  0.356439  1
  Ta  Ta12  1  0.110764  0.340642  0.305162  1
  Ta  Ta13  1  0.844601  0.903233  0.326836  1
  Ta  Ta14  1  0.825899  0.109218  0.271632  1
  Ta  Ta15  1  0.824539  0.678620  0.379284  1
  Ta  Ta16  1  0.329704  0.018469  0.384751  1
  Ta  Ta17  1  0.334192  0.233804  0.328929  1
  Ta  Ta18  1  0.317376  0.439313  0.278115  1
  Ta  Ta19  1  0.765422  0.618124  0.273500  1
  Ta  Ta20  1  0.827152  0.177281  0.380293  1
  Ta  Ta21  1  0.822106  0.393090  0.325683  1
  Ta  Ta22  1  0.320734  0.727734  0.325246  1
  Ta  Ta23  1  0.389992  0.920462  0.268329  1
  Ta  Ta24  1  0.326228  0.518694  0.383094  1
  Ta  Ta25  1  0.638602  0.070037  0.408096  1
  Ta  Ta26  1  0.635655  0.284547  0.352484  1
  Ta  Ta27  1  0.636351  0.497114  0.298760  1
  Ta  Ta28  1  0.468276  0.865868  0.314772  1
  Ta  Ta29  1  0.393182  0.083528  0.266188  1
  Ta  Ta30  1  0.477720  0.652931  0.368172  1
  Ta  Ta31  1  0.316930  0.823119  0.372756  1
  Ta  Ta32  1  0.330646  0.034444  0.316502  1
  Ta  Ta33  1  0.311073  0.265458  0.272031  1
  Ta  Ta34  1  0.892526  0.847394  0.382583  1
  Ta  Ta35  1  0.888452  0.062116  0.325701  1
  Ta  Ta36  1  0.899799  0.266392  0.272301  1
  Ta  Ta37  1  0.153149  0.933341  0.345319  1
  Ta  Ta38  1  0.135633  0.151859  0.295023  1
  Ta  Ta39  1  0.143544  0.714547  0.400166  1
  Ta  Ta40  1  0.892834  1.005475  0.377362  1
  Ta  Ta41  1  0.878834  0.218655  0.322048  1
  Ta  Ta42  1  0.897649  0.428562  0.271124  1
  Ta  Ta43  1  0.379172  0.603484  0.278306  1
  Ta  Ta44  1  0.391733  0.190627  0.387074  1
  Ta  Ta45  1  0.392348  0.399342  0.329297  1
  Ta  Ta46  1  0.642355  0.690056  0.313954  1
  Ta  Ta47  1  0.645753  0.264096  0.419914  1
  Ta  Ta48  1  0.641967  0.478502  0.364249  1
  Ta  Ta49  1  0.435408  0.754637  0.275249  1
  Ta  Ta50  1  0.387458  0.348822  0.381742  1
  Ta  Ta51  1  0.386618  0.558963  0.326951  1
  Ta  Ta52  1  0.768931  0.812577  0.287144  1
  Ta  Ta53  1  0.817391  0.371479  0.391949  1
  Ta  Ta54  1  0.821667  0.579914  0.334891  1
  Ta  Ta55  1  0.575569  0.897206  0.405512  1
  Ta  Ta56  1  0.577779  0.111248  0.348690  1
  Ta  Ta57  1  0.600325  0.327558  0.292862  1
  Ta  Ta58  1  0.635902  0.792843  0.353104  1
  Ta  Ta59  1  0.646950  0.994102  0.295412  1
  Ta  Ta60  1  0.632797  0.572901  0.409826  1
  Ta  Ta61  1  0.140350  0.838868  0.297279  1
  Ta  Ta62  1  0.133106  0.409591  0.410475  1
  Ta  Ta63  1  0.129485  0.625145  0.352947  1
  Ta  Ta64  1  0.075389  0.083780  0.415119  1
  Ta  Ta65  1  0.072622  0.296723  0.359097  1
  Ta  Ta66  1  0.066859  0.519932  0.302959  1
  Ta  Ta67  1  0.076750  0.026118  0.465748  1
  Ta  Ta68  1  0.075700  0.595926  0.577983  1
  Ta  Ta69  1  0.076414  0.811089  0.521711  1
  Ta  Ta70  1  0.575699  0.309541  0.522731  1
  Ta  Ta71  1  0.575971  0.524724  0.466753  1
  Ta  Ta72  1  0.575884  0.094166  0.578791  1
  Ta  Ta73  1  0.982509  0.114009  0.508199  1
  Ta  Ta74  1  0.981899  0.329476  0.452226  1
  Ta  Ta75  1  0.983499  0.898801  0.564219  1
  Ta  Ta76  1  0.136632  0.265324  0.580380  1
  Ta  Ta77  1  0.137276  0.480488  0.524479  1
  Ta  Ta78  1  0.136997  0.695514  0.468414  1
  Ta  Ta79  1  0.829912  0.248989  0.493750  1
  Ta  Ta80  1  0.829629  0.464685  0.437611  1
  Ta  Ta81  1  0.830187  0.033528  0.549722  1
  Ta  Ta82  1  0.326786  0.373035  0.552504  1
  Ta  Ta83  1  0.327095  0.588139  0.496461  1
  Ta  Ta84  1  0.327839  0.802427  0.440268  1
  Ta  Ta85  1  0.828741  0.962537  0.435983  1
  Ta  Ta86  1  0.828279  0.532544  0.547875  1
  Ta  Ta87  1  0.827845  0.747747  0.491881  1
  Ta  Ta88  1  0.330915  0.086623  0.494619  1
  Ta  Ta89  1  0.329775  0.302459  0.438716  1
  Ta  Ta90  1  0.330908  0.871305  0.550760  1
  Ta  Ta91  1  0.637400  0.425519  0.576033  1
  Ta  Ta92  1  0.638169  0.640222  0.519948  1
  Ta  Ta93  1  0.638157  0.855041  0.463869  1
  Ta  Ta94  1  0.482431  0.221821  0.480228  1
  Ta  Ta95  1  0.481384  0.437262  0.424170  1
  Ta  Ta96  1  0.482835  1.006291  0.536248  1
  Ta  Ta97  1  0.317928  0.178776  0.540696  1
  Ta  Ta98  1  0.318051  0.394160  0.484892  1
  Ta  Ta99  1  0.318268  0.610147  0.429304  1
  Ta  Ta100  1  0.888475  0.201896  0.550648  1
  Ta  Ta101  1  0.888702  0.417166  0.494719  1
  Ta  Ta102  1  0.889180  0.632160  0.438352  1
  Ta  Ta103  1  0.145956  0.286641  0.512855  1
  Ta  Ta104  1  0.146600  0.501248  0.456567  1
  Ta  Ta105  1  0.146179  0.071469  0.568746  1
  Ta  Ta106  1  0.890195  0.359567  0.545440  1
  Ta  Ta107  1  0.890875  0.574652  0.489295  1
  Ta  Ta108  1  0.891051  0.789260  0.433140  1
  Ta  Ta109  1  0.391542  0.976199  0.443064  1
  Ta  Ta110  1  0.389484  0.545931  0.555001  1
  Ta  Ta111  1  0.390873  0.761118  0.498906  1
  Ta  Ta112  1  0.647201  0.049207  0.475698  1
  Ta  Ta113  1  0.646255  0.616905  0.586735  1
  Ta  Ta114  1  0.647088  0.834069  0.531551  1
  Ta  Ta115  1  0.389416  0.133817  0.437791  1
  Ta  Ta116  1  0.389286  0.703589  0.549635  1
  Ta  Ta117  1  0.389574  0.918575  0.493699  1
  Ta  Ta118  1  0.819089  0.156590  0.447681  1
  Ta  Ta119  1  0.817806  0.727295  0.560212  1
  Ta  Ta120  1  0.819297  0.941397  0.503524  1
  Ta  Ta121  1  0.573381  0.251605  0.573316  1
  Ta  Ta122  1  0.574209  0.467078  0.517474  1
  Ta  Ta123  1  0.575308  0.682224  0.461300  1
  Ta  Ta124  1  0.634292  0.141392  0.521816  1
  Ta  Ta125  1  0.634173  0.357045  0.465776  1
  Ta  Ta126  1  0.635600  0.925778  0.577835  1
  Ta  Ta127  1  0.134945  0.194590  0.466721  1
  Ta  Ta128  1  0.135779  0.763499  0.578767  1
  Ta  Ta129  1  0.135235  0.979108  0.522635  1
  Ta  Ta130  1  0.073610  0.438877  0.583207  1
  Ta  Ta131  1  0.073948  0.653690  0.527088  1
  Ta  Ta132  1  0.075203  0.868458  0.470902  1
  Ta  Ta133  1  0.071324  0.380797  0.633760  1
  Ta  Ta134  1  0.056898  0.964763  0.745442  1
  Ta  Ta135  1  0.076964  0.165314  0.690016  1
  Ta  Ta136  1  0.578264  0.671092  0.689267  1
  Ta  Ta137  1  0.576988  0.879505  0.635062  1
  Ta  Ta138  1  0.532262  0.464766  0.740992  1
  Ta  Ta139  1  0.985724  0.467524  0.677072  1
  Ta  Ta140  1  -0.014043  0.683648  0.620551  1
  Ta  Ta141  1  0.959950  0.253260  0.728993  1
  Ta  Ta142  1  0.198531  0.608926  0.742703  1
  Ta  Ta143  1  0.151677  0.832197  0.689354  1
  Ta  Ta144  1  0.137478  0.050791  0.636376  1
  Ta  Ta145  1  0.836729  0.604762  0.663855  1
  Ta  Ta146  1  0.833071  0.819601  0.606189  1
  Ta  Ta147  1  0.829633  0.394454  0.720168  1
  Ta  Ta148  1  0.328009  0.730774  0.718209  1
  Ta  Ta149  1  0.329644  0.945760  0.664778  1
  Ta  Ta150  1  0.326419  0.157992  0.608493  1
  Ta  Ta151  1  0.826461  0.317429  0.603446  1
  Ta  Ta152  1  0.873289  0.885575  0.709918  1
  Ta  Ta153  1  0.827220  0.102129  0.660084  1
  Ta  Ta154  1  0.330325  0.435744  0.663049  1
  Ta  Ta155  1  0.332775  0.655098  0.606447  1
  Ta  Ta156  1  0.321407  0.233289  0.719607  1
  Ta  Ta157  1  0.649342  0.785760  0.737660  1
  Ta  Ta158  1  0.634594  0.994243  0.688114  1
  Ta  Ta159  1  0.637915  0.209657  0.631937  1
  Ta  Ta160  1  0.488515  0.575174  0.648141  1
  Ta  Ta161  1  0.484192  0.791098  0.592332  1
  Ta  Ta162  1  0.494336  0.360870  0.701870  1
  Ta  Ta163  1  0.327565  0.537467  0.702516  1
  Ta  Ta164  1  0.327247  0.749243  0.651761  1
  Ta  Ta165  1  0.320175  0.964641  0.596663  1
  Ta  Ta166  1  0.905500  0.551741  0.720480  1
  Ta  Ta167  1  0.885512  0.772144  0.663084  1
  Ta  Ta168  1  0.889451  0.987102  0.606530  1
  Ta  Ta169  1  0.148590  0.647060  0.680990  1
  Ta  Ta170  1  0.150110  0.856689  0.624409  1
  Ta  Ta171  1  0.182346  0.418983  0.728236  1
  Ta  Ta172  1  0.904167  0.708200  0.713217  1
  Ta  Ta173  1  0.894752  0.931017  0.656974  1
  Ta  Ta174  1  0.889742  0.144383  0.601314  1
  Ta  Ta175  1  0.389258  0.330509  0.610810  1
  Ta  Ta176  1  0.348087  0.903514  0.724038  1
  Ta  Ta177  1  0.383845  0.114939  0.668202  1
  Ta  Ta178  1  0.647143  0.402374  0.642945  1
  Ta  Ta179  1  0.663484  0.948269  0.742154  1
  Ta  Ta180  1  0.634086  0.185892  0.696732  1
  Ta  Ta181  1  0.387348  0.488130  0.605869  1
  Ta  Ta182  1  0.397339  0.062220  0.719563  1
  Ta  Ta183  1  0.387754  0.270940  0.661400  1
  Ta  Ta184  1  0.820008  0.513994  0.616699  1
  Ta  Ta185  1  0.811267  0.083714  0.724029  1
  Ta  Ta186  1  0.805390  0.299524  0.674770  1
  Ta  Ta187  1  0.587183  0.618731  0.737177  1
  Ta  Ta188  1  0.573135  0.832640  0.688211  1
  Ta  Ta189  1  0.573148  0.037753  0.629738  1
  Ta  Ta190  1  0.646476  0.497291  0.690171  1
  Ta  Ta191  1  0.641570  0.708503  0.632715  1
  Ta  Ta192  1  0.632017  0.276628  0.740057  1
  Ta  Ta193  1  0.140934  0.549509  0.636687  1
  Ta  Ta194  1  0.122439  0.118767  0.743181  1
  Ta  Ta195  1  0.125980  0.326589  0.688232  1
  Ta  Ta196  1  0.059865  0.802553  0.745834  1
  Ta  Ta197  1  0.077751  1.010672  0.695516  1
  Ta  Ta198  1  0.069607  0.223113  0.639050  1
