# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42730835
_cell_length_b   16.08562576
_cell_length_c   48.77049481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96804138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8180.26308399
_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  0.263523  0.070817  0.382455  1
  Ta  Ta2  1  0.255456  0.813912  0.332515  1
  Ta  Ta3  1  0.282210  0.580972  0.282626  1
  Ta  Ta4  1  0.821005  0.043435  0.288536  1
  Ta  Ta5  1  0.773746  0.568818  0.378557  1
  Ta  Ta6  1  0.780058  0.316626  0.332131  1
  Ta  Ta7  1  0.530198  0.096366  0.366915  1
  Ta  Ta8  1  0.519792  0.840676  0.318339  1
  Ta  Ta9  1  0.590102  0.579854  0.280053  1
  Ta  Ta10  1  0.942878  0.058595  0.388671  1
  Ta  Ta11  1  0.945978  0.799839  0.340220  1
  Ta  Ta12  1  1.014358  0.540196  0.293116  1
  Ta  Ta13  1  0.597484  0.010181  0.317138  1
  Ta  Ta14  1  0.595347  0.749931  0.273983  1
  Ta  Ta15  1  0.580359  0.261886  0.362519  1
  Ta  Ta16  1  0.950075  0.885436  0.390916  1
  Ta  Ta17  1  0.953846  0.625804  0.343117  1
  Ta  Ta18  1  0.961610  0.373440  0.297005  1
  Ta  Ta19  1  0.081663  0.135095  0.346650  1
  Ta  Ta20  1  0.046844  0.876859  0.295244  1
  Ta  Ta21  1  0.093630  0.383796  0.392760  1
  Ta  Ta22  1  0.420737  0.247815  0.275937  1
  Ta  Ta23  1  0.449110  0.759298  0.365818  1
  Ta  Ta24  1  0.444859  0.502469  0.318281  1
  Ta  Ta25  1  0.096920  0.053416  0.297900  1
  Ta  Ta26  1  0.096650  0.557225  0.388275  1
  Ta  Ta27  1  0.102955  0.315968  0.340350  1
  Ta  Ta28  1  0.519049  0.846437  0.412357  1
  Ta  Ta29  1  0.519213  0.592188  0.364269  1
  Ta  Ta30  1  0.399562  0.320312  0.324929  1
  Ta  Ta31  1  0.601901  0.379017  0.295977  1
  Ta  Ta32  1  0.724963  0.765345  0.368289  1
  Ta  Ta33  1  0.760044  0.513431  0.316221  1
  Ta  Ta34  1  0.772254  0.121711  0.349353  1
  Ta  Ta35  1  0.766347  0.860784  0.305894  1
  Ta  Ta36  1  0.770389  0.371791  0.397655  1
  Ta  Ta37  1  0.689058  0.933064  0.365095  1
  Ta  Ta38  1  0.673278  0.677210  0.324927  1
  Ta  Ta39  1  0.716347  0.187079  0.410329  1
  Ta  Ta40  1  0.903139  0.983663  0.334512  1
  Ta  Ta41  1  0.863855  0.695387  0.290416  1
  Ta  Ta42  1  0.915907  0.246260  0.374966  1
  Ta  Ta43  1  0.179998  0.228117  0.298385  1
  Ta  Ta44  1  0.130481  0.741129  0.376360  1
  Ta  Ta45  1  0.161557  0.478794  0.331733  1
  Ta  Ta46  1  0.353008  0.118724  0.323732  1
  Ta  Ta47  1  0.333057  0.682037  0.411796  1
  Ta  Ta48  1  0.348544  0.426076  0.368959  1
  Ta  Ta49  1  0.267746  0.872689  0.398036  1
  Ta  Ta50  1  0.265545  0.618090  0.349772  1
  Ta  Ta51  1  0.252695  0.399310  0.287569  1
  Ta  Ta52  1  0.319245  0.951847  0.301437  1
  Ta  Ta53  1  0.307435  0.784845  0.277276  1
  Ta  Ta54  1  0.303040  0.242412  0.369140  1
  Ta  Ta55  1  0.917915  0.191636  0.308580  1
  Ta  Ta56  1  0.910496  0.696045  0.403416  1
  Ta  Ta57  1  0.922977  0.444645  0.353784  1
  Ta  Ta58  1  0.617615  0.187517  0.309359  1
  Ta  Ta59  1  0.601261  0.681947  0.410435  1
  Ta  Ta60  1  0.613554  0.430233  0.355823  1
  Ta  Ta61  1  0.414662  0.945354  0.356680  1
  Ta  Ta62  1  0.424186  0.682124  0.312413  1
  Ta  Ta63  1  0.448756  0.181310  0.413225  1
  Ta  Ta64  1  0.140485  0.953995  0.350815  1
  Ta  Ta65  1  0.122951  0.693900  0.307495  1
  Ta  Ta66  1  0.123360  0.195287  0.406593  1
  Ta  Ta67  1  0.269053  0.826544  0.522956  1
  Ta  Ta68  1  0.267558  0.573978  0.475961  1
  Ta  Ta69  1  0.269004  0.321956  0.428397  1
  Ta  Ta70  1  0.771455  0.823478  0.427321  1
  Ta  Ta71  1  0.769731  0.326594  0.524266  1
  Ta  Ta72  1  0.770259  0.073590  0.476913  1
  Ta  Ta73  1  0.519629  0.850199  0.509523  1
  Ta  Ta74  1  0.518823  0.597258  0.461068  1
  Ta  Ta75  1  0.521440  0.344537  0.412969  1
  Ta  Ta76  1  0.942029  0.812341  0.530997  1
  Ta  Ta77  1  0.944614  0.560806  0.484082  1
  Ta  Ta78  1  0.942608  0.309835  0.436024  1
  Ta  Ta79  1  0.597919  0.760742  0.463323  1
  Ta  Ta80  1  0.592206  0.507649  0.413371  1
  Ta  Ta81  1  0.597387  0.013585  0.512786  1
  Ta  Ta82  1  0.942611  0.637961  0.535982  1
  Ta  Ta83  1  0.944615  0.386982  0.487929  1
  Ta  Ta84  1  0.942011  0.135448  0.441000  1
  Ta  Ta85  1  0.090898  0.887046  0.487169  1
  Ta  Ta86  1  0.092368  0.635901  0.439690  1
  Ta  Ta87  1  0.092940  0.138112  0.536744  1
  Ta  Ta88  1  0.445162  0.007229  0.414896  1
  Ta  Ta89  1  0.443949  0.514870  0.512037  1
  Ta  Ta90  1  0.436298  0.260837  0.465196  1
  Ta  Ta91  1  0.092933  0.809608  0.435241  1
  Ta  Ta92  1  0.092378  0.311818  0.532306  1
  Ta  Ta93  1  0.090903  0.060670  0.484815  1
  Ta  Ta94  1  0.521462  0.603244  0.559036  1
  Ta  Ta95  1  0.518843  0.350486  0.510926  1
  Ta  Ta96  1  0.519601  0.097532  0.462479  1
  Ta  Ta97  1  0.711778  0.016751  0.415418  1
  Ta  Ta98  1  0.709832  0.514002  0.511294  1
  Ta  Ta99  1  0.702771  0.263075  0.461704  1
  Ta  Ta100  1  0.770254  0.874222  0.495089  1
  Ta  Ta101  1  0.769703  0.621230  0.447739  1
  Ta  Ta102  1  0.771481  0.124341  0.544678  1
  Ta  Ta103  1  0.702953  0.684843  0.510277  1
  Ta  Ta104  1  0.710047  0.433918  0.460687  1
  Ta  Ta105  1  0.711901  0.931184  0.556570  1
  Ta  Ta106  1  0.907094  0.746840  0.471975  1
  Ta  Ta107  1  0.908225  0.495194  0.424015  1
  Ta  Ta108  1  0.907224  0.998137  0.520862  1
  Ta  Ta109  1  0.129572  0.994713  0.425517  1
  Ta  Ta110  1  0.127986  0.499152  0.520141  1
  Ta  Ta111  1  0.127849  0.246866  0.473048  1
  Ta  Ta112  1  0.329781  0.932761  0.460910  1
  Ta  Ta113  1  0.323433  0.435122  0.555449  1
  Ta  Ta114  1  0.328825  0.184033  0.510468  1
  Ta  Ta115  1  0.269032  0.625739  0.543602  1
  Ta  Ta116  1  0.267572  0.373694  0.496041  1
  Ta  Ta117  1  0.269053  0.121137  0.449029  1
  Ta  Ta118  1  0.328562  0.763520  0.461541  1
  Ta  Ta119  1  0.323185  0.512433  0.416589  1
  Ta  Ta120  1  0.329560  0.014795  0.511079  1
  Ta  Ta121  1  0.907226  0.949643  0.451119  1
  Ta  Ta122  1  0.908212  0.452603  0.547971  1
  Ta  Ta123  1  0.907099  0.200939  0.500008  1
  Ta  Ta124  1  0.597598  0.934245  0.459187  1
  Ta  Ta125  1  0.592462  0.440217  0.558612  1
  Ta  Ta126  1  0.598186  0.187092  0.508645  1
  Ta  Ta127  1  0.436500  0.686818  0.506820  1
  Ta  Ta128  1  0.444160  0.432789  0.459991  1
  Ta  Ta129  1  0.445270  0.940461  0.557098  1
  Ta  Ta130  1  0.127840  0.700858  0.498962  1
  Ta  Ta131  1  0.127944  0.448567  0.451883  1
  Ta  Ta132  1  0.129555  0.953025  0.546478  1
  Ta  Ta133  1  0.252920  0.548431  0.684398  1
  Ta  Ta134  1  0.265666  0.329607  0.622198  1
  Ta  Ta135  1  0.267773  0.074999  0.573950  1
  Ta  Ta136  1  0.770424  0.576052  0.574352  1
  Ta  Ta137  1  0.766452  0.087040  0.666105  1
  Ta  Ta138  1  0.772300  0.826120  0.622642  1
  Ta  Ta139  1  0.399744  0.627449  0.647063  1
  Ta  Ta140  1  0.519205  0.355548  0.607682  1
  Ta  Ta141  1  0.519066  0.101294  0.559630  1
  Ta  Ta142  1  0.961764  0.574367  0.674990  1
  Ta  Ta143  1  0.953934  0.321989  0.628885  1
  Ta  Ta144  1  0.950109  0.062357  0.581083  1
  Ta  Ta145  1  0.613623  0.517528  0.616175  1
  Ta  Ta146  1  0.601012  0.265875  0.561516  1
  Ta  Ta147  1  0.617738  0.760261  0.662642  1
  Ta  Ta148  1  1.014472  0.407604  0.678908  1
  Ta  Ta149  1  0.945992  0.147993  0.631782  1
  Ta  Ta150  1  0.942884  0.889210  0.583326  1
  Ta  Ta151  1  0.102999  0.631728  0.631635  1
  Ta  Ta152  1  0.096650  0.390509  0.583715  1
  Ta  Ta153  1  0.097056  0.894354  0.674092  1
  Ta  Ta154  1  0.448588  0.766398  0.558784  1
  Ta  Ta155  1  0.424316  0.265622  0.659574  1
  Ta  Ta156  1  0.414671  1.002410  0.615324  1
  Ta  Ta157  1  0.093672  0.563937  0.579237  1
  Ta  Ta158  1  0.046967  0.070963  0.676753  1
  Ta  Ta159  1  0.081713  0.812688  0.625340  1
  Ta  Ta160  1  0.590321  0.367983  0.691978  1
  Ta  Ta161  1  0.519854  0.107049  0.653673  1
  Ta  Ta162  1  0.530253  0.851435  0.605069  1
  Ta  Ta163  1  0.716166  0.760845  0.561648  1
  Ta  Ta164  1  0.673375  0.270647  0.647081  1
  Ta  Ta165  1  0.689032  0.014803  0.606906  1
  Ta  Ta166  1  0.780059  0.631150  0.639875  1
  Ta  Ta167  1  0.773791  0.378976  0.593448  1
  Ta  Ta168  1  0.821153  0.904345  0.683452  1
  Ta  Ta169  1  0.760252  0.434372  0.655799  1
  Ta  Ta170  1  0.724933  0.182515  0.603695  1
  Ta  Ta171  1  0.601992  0.568705  0.676029  1
  Ta  Ta172  1  0.923029  0.503110  0.618212  1
  Ta  Ta173  1  0.910487  0.251719  0.568574  1
  Ta  Ta174  1  0.918020  0.756126  0.663398  1
  Ta  Ta175  1  0.123388  0.752486  0.565412  1
  Ta  Ta176  1  0.123118  0.253938  0.664505  1
  Ta  Ta177  1  0.140533  0.993801  0.621193  1
  Ta  Ta178  1  0.303043  0.705323  0.602868  1
  Ta  Ta179  1  0.307551  0.162905  0.694712  1
  Ta  Ta180  1  0.319329  0.995887  0.670565  1
  Ta  Ta181  1  0.282431  0.366778  0.689380  1
  Ta  Ta182  1  0.255559  0.133844  0.639475  1
  Ta  Ta183  1  0.263561  0.876943  0.589535  1
  Ta  Ta184  1  0.348549  0.521652  0.603054  1
  Ta  Ta185  1  0.332804  0.265519  0.560203  1
  Ta  Ta186  1  0.353174  0.829051  0.648251  1
  Ta  Ta187  1  0.915908  0.701528  0.597028  1
  Ta  Ta188  1  0.863996  0.252430  0.681599  1
  Ta  Ta189  1  0.903200  0.964126  0.637477  1
  Ta  Ta190  1  0.580374  0.685938  0.609483  1
  Ta  Ta191  1  0.595387  0.197917  0.698015  1
  Ta  Ta192  1  0.597619  0.937582  0.654852  1
  Ta  Ta193  1  0.445082  0.445207  0.653708  1
  Ta  Ta194  1  0.449254  0.188391  0.606180  1
  Ta  Ta195  1  0.420833  0.699966  0.696051  1
  Ta  Ta196  1  0.161607  0.468866  0.640276  1
  Ta  Ta197  1  0.130474  0.206601  0.595644  1
  Ta  Ta198  1  0.180154  0.719645  0.673565  1
