# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69737186
_cell_length_b   31.88280594
_cell_length_c   55.24089219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8273.1740603
_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  1.008472  0.842094  0.290880  1
  Ta  Ta2  1  1.008472  0.672939  0.384665  1
  Ta  Ta3  1  1.008472  0.269651  0.335618  1
  Ta  Ta4  1  0.508472  0.054181  0.314855  1
  Ta  Ta5  1  0.508472  0.877131  0.407396  1
  Ta  Ta6  1  0.508472  0.469827  0.359888  1
  Ta  Ta7  1  1.008472  0.194573  0.313556  1
  Ta  Ta8  1  1.008472  0.009116  0.405996  1
  Ta  Ta9  1  1.008472  0.600942  0.356845  1
  Ta  Ta10  1  1.008472  0.928868  0.319974  1
  Ta  Ta11  1  1.008472  0.755367  0.425089  1
  Ta  Ta12  1  1.008472  0.348848  0.375866  1
  Ta  Ta13  1  0.508472  0.150618  0.317719  1
  Ta  Ta14  1  0.508472  0.963635  0.409639  1
  Ta  Ta15  1  0.508472  0.554816  0.358106  1
  Ta  Ta16  1  0.508472  0.970568  0.324557  1
  Ta  Ta17  1  0.508472  0.791213  0.406851  1
  Ta  Ta18  1  0.508472  0.384567  0.359175  1
  Ta  Ta19  1  1.008472  0.258971  0.384765  1
  Ta  Ta20  1  1.008472  0.850215  0.338336  1
  Ta  Ta21  1  1.008472  0.449996  0.294706  1
  Ta  Ta22  1  1.008472  0.086685  0.380919  1
  Ta  Ta23  1  1.008472  0.689503  0.337669  1
  Ta  Ta24  1  1.008472  0.282773  0.288634  1
  Ta  Ta25  1  0.508472  0.226125  0.404548  1
  Ta  Ta26  1  0.508472  0.817278  0.356972  1
  Ta  Ta27  1  0.508472  0.410209  0.312622  1
  Ta  Ta28  1  0.508472  0.099934  0.355812  1
  Ta  Ta29  1  0.508472  0.694940  0.308835  1
  Ta  Ta30  1  0.508472  0.509100  0.404271  1
  Ta  Ta31  1  1.008472  0.023892  0.344544  1
  Ta  Ta32  1  1.008472  0.626968  0.308584  1
  Ta  Ta33  1  1.008472  0.436142  0.393444  1
  Ta  Ta34  1  1.008472  0.342119  0.425644  1
  Ta  Ta35  1  1.008472  0.942360  0.371613  1
  Ta  Ta36  1  1.008472  0.530482  0.326612  1
  Ta  Ta37  1  0.508472  0.009352  0.367581  1
  Ta  Ta38  1  0.508472  0.589735  0.314607  1
  Ta  Ta39  1  0.508472  0.404344  0.410355  1
  Ta  Ta40  1  0.508472  0.312503  0.405557  1
  Ta  Ta41  1  0.508472  0.904397  0.358565  1
  Ta  Ta42  1  0.508472  0.494335  0.313222  1
  Ta  Ta43  1  1.008472  0.169920  0.420176  1
  Ta  Ta44  1  1.008472  0.762709  0.374997  1
  Ta  Ta45  1  1.008472  0.357598  0.324505  1
  Ta  Ta46  1  1.008472  0.168317  0.362298  1
  Ta  Ta47  1  1.008472  0.767779  0.324183  1
  Ta  Ta48  1  1.008472  0.580475  0.416519  1
  Ta  Ta49  1  0.508472  0.141845  0.399432  1
  Ta  Ta50  1  0.508472  0.732059  0.354222  1
  Ta  Ta51  1  0.508472  0.323144  0.309114  1
  Ta  Ta52  1  0.508472  0.211020  0.353422  1
  Ta  Ta53  1  0.508472  0.795113  0.308405  1
  Ta  Ta54  1  0.508472  0.612587  0.398957  1
  Ta  Ta55  1  1.008472  0.012136  0.297438  1
  Ta  Ta56  1  1.008472  0.847222  0.387752  1
  Ta  Ta57  1  1.008472  0.438793  0.341598  1
  Ta  Ta58  1  1.008472  0.102255  0.323609  1
  Ta  Ta59  1  1.008472  0.922806  0.423343  1
  Ta  Ta60  1  1.008472  0.518144  0.376473  1
  Ta  Ta61  1  0.508472  0.059488  0.406339  1
  Ta  Ta62  1  0.508472  0.646626  0.351006  1
  Ta  Ta63  1  0.508472  0.240017  0.306853  1
  Ta  Ta64  1  0.508472  0.879633  0.311236  1
  Ta  Ta65  1  0.508472  0.703583  0.404160  1
  Ta  Ta66  1  0.508472  0.298257  0.355766  1
  Ta  Ta67  1  1.008472  0.083708  0.431889  1
  Ta  Ta68  1  1.008472  0.894326  0.527182  1
  Ta  Ta69  1  1.008472  0.487572  0.479835  1
  Ta  Ta70  1  0.508472  0.284027  0.455488  1
  Ta  Ta71  1  0.508472  0.096417  0.551986  1
  Ta  Ta72  1  0.508472  0.689817  0.504492  1
  Ta  Ta73  1  1.008472  0.414855  0.452883  1
  Ta  Ta74  1  1.008472  0.227354  0.548653  1
  Ta  Ta75  1  1.008472  0.821105  0.500768  1
  Ta  Ta76  1  1.008472  0.163126  0.471945  1
  Ta  Ta77  1  1.008472  0.975759  0.567772  1
  Ta  Ta78  1  1.008472  0.568535  0.519935  1
  Ta  Ta79  1  0.508472  0.368887  0.455973  1
  Ta  Ta80  1  0.508472  0.181216  0.551783  1
  Ta  Ta81  1  0.508472  0.774686  0.503645  1
  Ta  Ta82  1  0.508472  0.199049  0.453721  1
  Ta  Ta83  1  0.508472  0.011226  0.549943  1
  Ta  Ta84  1  0.508472  0.604396  0.501216  1
  Ta  Ta85  1  1.008472  0.479083  0.529591  1
  Ta  Ta86  1  1.008472  0.073675  0.481601  1
  Ta  Ta87  1  1.008472  0.666450  0.433764  1
  Ta  Ta88  1  1.008472  0.309850  0.526843  1
  Ta  Ta89  1  1.008472  0.902174  0.477810  1
  Ta  Ta90  1  1.008472  0.497132  0.430539  1
  Ta  Ta91  1  0.508472  0.443161  0.547815  1
  Ta  Ta92  1  0.508472  0.037814  0.500320  1
  Ta  Ta93  1  0.508472  0.630983  0.451593  1
  Ta  Ta94  1  0.508472  0.321105  0.500768  1
  Ta  Ta95  1  0.508472  0.914638  0.452020  1
  Ta  Ta96  1  0.508472  0.727571  0.549516  1
  Ta  Ta97  1  1.008472  0.249009  0.488884  1
  Ta  Ta98  1  1.008472  0.841687  0.440141  1
  Ta  Ta99  1  1.008472  0.657229  0.539192  1
  Ta  Ta100  1  1.008472  0.558502  0.569647  1
  Ta  Ta101  1  1.008472  0.154637  0.521701  1
  Ta  Ta102  1  1.008472  0.747884  0.474354  1
  Ta  Ta103  1  0.508472  0.216478  0.505727  1
  Ta  Ta104  1  0.508472  0.811070  0.458211  1
  Ta  Ta105  1  0.508472  0.619325  0.551334  1
  Ta  Ta106  1  0.508472  0.529205  0.549516  1
  Ta  Ta107  1  0.508472  0.124996  0.501768  1
  Ta  Ta108  1  0.508472  0.718266  0.454153  1
  Ta  Ta109  1  1.008472  0.389028  0.565943  1
  Ta  Ta110  1  1.008472  0.982501  0.517061  1
  Ta  Ta111  1  1.008472  0.576322  0.469438  1
  Ta  Ta112  1  1.008472  0.393201  0.512652  1
  Ta  Ta113  1  1.008472  0.984980  0.462344  1
  Ta  Ta114  1  1.008472  0.800523  0.561395  1
  Ta  Ta115  1  0.508472  0.358183  0.546048  1
  Ta  Ta116  1  0.508472  0.952393  0.497044  1
  Ta  Ta117  1  0.508472  0.545793  0.449550  1
  Ta  Ta118  1  0.508472  0.425731  0.495809  1
  Ta  Ta119  1  0.508472  0.022884  0.450202  1
  Ta  Ta120  1  0.508472  0.831139  0.543325  1
  Ta  Ta121  1  1.008472  0.253182  0.435593  1
  Ta  Ta122  1  1.008472  0.065887  0.532098  1
  Ta  Ta123  1  1.008472  0.659709  0.484475  1
  Ta  Ta124  1  1.008472  0.332360  0.474693  1
  Ta  Ta125  1  1.008472  0.145078  0.570997  1
  Ta  Ta126  1  1.008472  0.740036  0.523726  1
  Ta  Ta127  1  0.508472  0.273323  0.545563  1
  Ta  Ta128  1  0.508472  0.867523  0.497891  1
  Ta  Ta129  1  0.508472  0.460994  0.449753  1
  Ta  Ta130  1  0.508472  0.113005  0.452020  1
  Ta  Ta131  1  0.508472  0.923944  0.547383  1
  Ta  Ta132  1  0.508472  0.517214  0.499768  1
  Ta  Ta133  1  1.008472  0.300091  0.575892  1
  Ta  Ta134  1  1.008472  0.111728  0.674924  1
  Ta  Ta135  1  1.008472  0.699850  0.629923  1
  Ta  Ta136  1  0.508472  0.500365  0.602104  1
  Ta  Ta137  1  0.508472  0.319066  0.692422  1
  Ta  Ta138  1  0.508472  0.910151  0.647314  1
  Ta  Ta139  1  1.008472  0.633094  0.595540  1
  Ta  Ta140  1  1.008472  0.447636  0.687980  1
  Ta  Ta141  1  0.008472  0.041267  0.644691  1
  Ta  Ta142  1  1.008472  0.383239  0.616771  1
  Ta  Ta143  1  1.008472  0.192213  0.706830  1
  Ta  Ta144  1  1.008472  0.791995  0.663200  1
  Ta  Ta145  1  0.508472  0.582722  0.595197  1
  Ta  Ta146  1  0.508472  0.402193  0.694683  1
  Ta  Ta147  1  0.508472  0.995584  0.650530  1
  Ta  Ta148  1  0.508472  0.416085  0.596988  1
  Ta  Ta149  1  0.508472  0.232001  0.688914  1
  Ta  Ta150  1  0.508472  0.824931  0.644564  1
  Ta  Ta151  1  1.008472  0.713341  0.681562  1
  Ta  Ta152  1  1.008472  0.293362  0.625670  1
  Ta  Ta153  1  1.008472  0.886843  0.576447  1
  Ta  Ta154  1  1.008472  0.539954  0.677927  1
  Ta  Ta155  1  1.008472  0.124065  0.625063  1
  Ta  Ta156  1  1.008472  0.719404  0.578193  1
  Ta  Ta157  1  0.508472  0.671641  0.676979  1
  Ta  Ta158  1  0.508472  0.257642  0.642361  1
  Ta  Ta159  1  0.508472  0.850997  0.594685  1
  Ta  Ta160  1  0.508472  0.542275  0.645724  1
  Ta  Ta161  1  0.508472  0.133110  0.597265  1
  Ta  Ta162  1  0.508472  0.947270  0.692701  1
  Ta  Ta163  1  1.008472  0.473892  0.639238  1
  Ta  Ta164  1  1.008472  0.061735  0.585017  1
  Ta  Ta165  1  0.008472  0.874431  0.677353  1
  Ta  Ta166  1  1.008472  0.800116  0.710656  1
  Ta  Ta167  1  1.008472  0.372559  0.665918  1
  Ta  Ta168  1  1.008472  0.969271  0.616871  1
  Ta  Ta169  1  0.508472  0.431190  0.648114  1
  Ta  Ta170  1  0.508472  0.029622  0.602579  1
  Ta  Ta171  1  0.508472  0.847097  0.693131  1
  Ta  Ta172  1  0.508472  0.762576  0.690300  1
  Ta  Ta173  1  0.508472  0.343952  0.645770  1
  Ta  Ta174  1  0.508472  0.938627  0.597376  1
  Ta  Ta175  1  1.008472  0.630074  0.704098  1
  Ta  Ta176  1  1.008472  0.203416  0.659938  1
  Ta  Ta177  1  1.008472  0.794987  0.613784  1
  Ta  Ta178  1  1.008472  0.618317  0.656992  1
  Ta  Ta179  1  1.008472  0.206067  0.608092  1
  Ta  Ta180  1  0.008472  0.015241  0.692952  1
  Ta  Ta181  1  0.508472  0.588028  0.686681  1
  Ta  Ta182  1  0.508472  0.172382  0.641648  1
  Ta  Ta183  1  0.508472  0.765078  0.594140  1
  Ta  Ta184  1  0.508472  0.632857  0.633955  1
  Ta  Ta185  1  0.508472  0.237866  0.591181  1
  Ta  Ta186  1  0.508472  0.052474  0.686929  1
  Ta  Ta187  1  1.008472  0.472289  0.581360  1
  Ta  Ta188  1  1.008472  0.284611  0.677031  1
  Ta  Ta189  1  1.008472  0.879501  0.626539  1
  Ta  Ta190  1  1.008472  0.555524  0.620617  1
  Ta  Ta191  1  1.008472  0.359436  0.712902  1
  Ta  Ta192  1  1.008472  0.952706  0.663867  1
  Ta  Ta193  1  0.508472  0.491592  0.683817  1
  Ta  Ta194  1  0.508472  0.087393  0.643430  1
  Ta  Ta195  1  0.508472  0.678574  0.591897  1
  Ta  Ta196  1  0.508472  0.329707  0.595979  1
  Ta  Ta197  1  0.508472  0.147874  0.688314  1
  Ta  Ta198  1  0.508472  0.737813  0.642971  1
