# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69095531
_cell_length_b   35.27322665
_cell_length_c   49.86910557
_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   8251.59802265
_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  1.011005  0.662856  0.410356  1
  Ta  Ta2  1  1.011005  0.022036  0.354762  1
  Ta  Ta3  1  1.011005  0.415448  0.295510  1
  Ta  Ta4  1  0.511005  0.605440  0.283890  1
  Ta  Ta5  1  0.511005  0.859618  0.375624  1
  Ta  Ta6  1  0.511005  0.224328  0.344848  1
  Ta  Ta7  1  1.011005  0.577011  0.375853  1
  Ta  Ta8  1  1.011005  0.955851  0.317776  1
  Ta  Ta9  1  1.011005  0.334066  0.290563  1
  Ta  Ta10  1  1.011005  0.494666  0.341753  1
  Ta  Ta11  1  1.011005  0.877115  0.285801  1
  Ta  Ta12  1  1.011005  0.108074  0.363614  1
  Ta  Ta13  1  0.511005  0.543959  0.415450  1
  Ta  Ta14  1  0.511005  0.926197  0.351095  1
  Ta  Ta15  1  0.511005  0.299933  0.324476  1
  Ta  Ta16  1  0.511005  0.528604  0.303418  1
  Ta  Ta17  1  0.511005  0.791079  0.400740  1
  Ta  Ta18  1  0.511005  0.146569  0.352439  1
  Ta  Ta19  1  1.011005  0.799401  0.308051  1
  Ta  Ta20  1  1.011005  0.055771  0.404661  1
  Ta  Ta21  1  1.011005  0.414694  0.348805  1
  Ta  Ta22  1  1.011005  0.651988  0.354125  1
  Ta  Ta23  1  1.011005  0.033969  0.296060  1
  Ta  Ta24  1  1.011005  0.266579  0.420525  1
  Ta  Ta25  1  0.511005  0.458423  0.377429  1
  Ta  Ta26  1  0.511005  0.768110  0.347347  1
  Ta  Ta27  1  0.511005  0.160859  0.299553  1
  Ta  Ta28  1  0.511005  0.685920  0.312795  1
  Ta  Ta29  1  0.511005  0.082294  0.271891  1
  Ta  Ta30  1  0.511005  0.298155  0.379743  1
  Ta  Ta31  1  1.011005  0.570291  0.318216  1
  Ta  Ta32  1  1.011005  0.955414  0.264718  1
  Ta  Ta33  1  1.011005  0.181028  0.392732  1
  Ta  Ta34  1  1.011005  0.501832  0.398182  1
  Ta  Ta35  1  1.011005  0.880039  0.339569  1
  Ta  Ta36  1  1.011005  0.256654  0.310468  1
  Ta  Ta37  1  0.511005  0.610990  0.337261  1
  Ta  Ta38  1  0.511005  0.997935  0.278883  1
  Ta  Ta39  1  0.511005  0.223904  0.404718  1
  Ta  Ta40  1  0.511005  0.535869  0.358742  1
  Ta  Ta41  1  0.511005  0.919772  0.296525  1
  Ta  Ta42  1  0.511005  0.123229  0.404221  1
  Ta  Ta43  1  1.011005  0.726377  0.331632  1
  Ta  Ta44  1  1.011005  0.113716  0.306975  1
  Ta  Ta45  1  1.011005  0.342349  0.399084  1
  Ta  Ta46  1  1.011005  0.720474  0.278209  1
  Ta  Ta47  1  1.011005  0.937337  0.380598  1
  Ta  Ta48  1  1.011005  0.336467  0.343349  1
  Ta  Ta49  1  0.511005  0.692717  0.370288  1
  Ta  Ta50  1  0.511005  0.074016  0.322884  1
  Ta  Ta51  1  0.511005  0.449258  0.270495  1
  Ta  Ta52  1  0.511005  0.760871  0.293323  1
  Ta  Ta53  1  0.511005  0.992024  0.391741  1
  Ta  Ta54  1  0.511005  0.376980  0.369926  1
  Ta  Ta55  1  1.011005  0.491786  0.287485  1
  Ta  Ta56  1  1.011005  0.808014  0.363498  1
  Ta  Ta57  1  1.011005  0.183688  0.332788  1
  Ta  Ta58  1  1.011005  0.645764  0.299937  1
  Ta  Ta59  1  1.011005  0.860576  0.406826  1
  Ta  Ta60  1  1.011005  0.259267  0.365169  1
  Ta  Ta61  1  0.511005  0.618136  0.393649  1
  Ta  Ta62  1  0.511005  0.997055  0.331341  1
  Ta  Ta63  1  0.511005  0.377703  0.312561  1
  Ta  Ta64  1  0.511005  0.842321  0.319840  1
  Ta  Ta65  1  0.511005  0.062453  0.373557  1
  Ta  Ta66  1  0.511005  0.454908  0.323283  1
  Ta  Ta67  1  1.011005  0.564298  0.554273  1
  Ta  Ta68  1  1.011005  0.901245  0.515116  1
  Ta  Ta69  1  1.011005  0.288966  0.474222  1
  Ta  Ta70  1  0.511005  0.468952  0.430850  1
  Ta  Ta71  1  0.511005  0.762758  0.528880  1
  Ta  Ta72  1  0.511005  0.104482  0.471261  1
  Ta  Ta73  1  1.011005  0.476805  0.509831  1
  Ta  Ta74  1  1.011005  0.843688  0.473310  1
  Ta  Ta75  1  1.011005  0.201258  0.454375  1
  Ta  Ta76  1  1.011005  0.362808  0.455082  1
  Ta  Ta77  1  1.011005  0.735652  0.387735  1
  Ta  Ta78  1  1.011005  0.974337  0.490579  1
  Ta  Ta79  1  0.511005  0.446179  0.536575  1
  Ta  Ta80  1  0.511005  0.835803  0.506131  1
  Ta  Ta81  1  0.511005  0.168981  0.444288  1
  Ta  Ta82  1  0.511005  0.390121  0.427766  1
  Ta  Ta83  1  0.511005  0.689369  0.550726  1
  Ta  Ta84  1  0.511005  0.036984  0.497798  1
  Ta  Ta85  1  1.011005  0.713121  0.454983  1
  Ta  Ta86  1  1.011005  0.961907  0.553823  1
  Ta  Ta87  1  1.011005  0.316440  0.526538  1
  Ta  Ta88  1  1.011005  0.561800  0.498810  1
  Ta  Ta89  1  1.011005  0.915192  0.449234  1
  Ta  Ta90  1  1.011005  0.164015  0.543757  1
  Ta  Ta91  1  0.511005  0.364482  0.539809  1
  Ta  Ta92  1  0.511005  0.702019  0.487861  1
  Ta  Ta93  1  0.511005  0.050222  0.433573  1
  Ta  Ta94  1  0.511005  0.574518  0.467231  1
  Ta  Ta95  1  0.511005  0.921685  0.415480  1
  Ta  Ta96  1  0.511005  0.179815  0.500283  1
  Ta  Ta97  1  1.011005  0.442382  0.457120  1
  Ta  Ta98  1  1.011005  0.786846  0.431799  1
  Ta  Ta99  1  1.011005  0.041667  0.527879  1
  Ta  Ta100  1  1.011005  0.392267  0.509731  1
  Ta  Ta101  1  1.011005  0.771554  0.496384  1
  Ta  Ta102  1  1.011005  0.118502  0.435679  1
  Ta  Ta103  1  0.511005  0.498167  0.481372  1
  Ta  Ta104  1  0.511005  0.850494  0.440492  1
  Ta  Ta105  1  0.511005  0.107165  0.533350  1
  Ta  Ta106  1  0.511005  0.417304  0.483491  1
  Ta  Ta107  1  0.511005  0.777430  0.464591  1
  Ta  Ta108  1  0.511005  0.029821  0.560501  1
  Ta  Ta109  1  1.011005  0.638783  0.477816  1
  Ta  Ta110  1  1.011005  0.985850  0.426015  1
  Ta  Ta111  1  1.011005  0.252798  0.562319  1
  Ta  Ta112  1  1.011005  0.590567  0.432051  1
  Ta  Ta113  1  1.011005  0.828071  0.538789  1
  Ta  Ta114  1  1.011005  0.225292  0.508398  1
  Ta  Ta115  1  0.511005  0.621365  0.511671  1
  Ta  Ta116  1  0.511005  0.979137  0.457723  1
  Ta  Ta117  1  0.511005  0.311938  0.433503  1
  Ta  Ta118  1  0.511005  0.647225  0.446129  1
  Ta  Ta119  1  0.511005  0.892867  0.547872  1
  Ta  Ta120  1  0.511005  0.271726  0.517915  1
  Ta  Ta121  1  1.011005  0.421463  0.403400  1
  Ta  Ta122  1  1.011005  0.700674  0.518121  1
  Ta  Ta123  1  1.011005  0.047624  0.466397  1
  Ta  Ta124  1  1.011005  0.519226  0.452162  1
  Ta  Ta125  1  1.011005  0.752961  0.561127  1
  Ta  Ta126  1  1.011005  0.128575  0.494376  1
  Ta  Ta127  1  0.511005  0.532860  0.530727  1
  Ta  Ta128  1  0.511005  0.907922  0.482158  1
  Ta  Ta129  1  0.511005  0.246288  0.464061  1
  Ta  Ta130  1  0.511005  0.719519  0.423513  1
  Ta  Ta131  1  0.511005  0.966786  0.522671  1
  Ta  Ta132  1  0.511005  0.338004  0.486369  1
  Ta  Ta133  1  1.011005  0.485304  0.671236  1
  Ta  Ta134  1  1.011005  0.825979  0.651802  1
  Ta  Ta135  1  1.011005  0.189668  0.597233  1
  Ta  Ta136  1  0.511005  0.388408  0.593940  1
  Ta  Ta137  1  0.511005  0.630597  0.677253  1
  Ta  Ta138  1  0.511005  1.008577  0.627745  1
  Ta  Ta139  1  1.011005  0.403489  0.679762  1
  Ta  Ta140  1  1.011005  0.731249  0.628972  1
  Ta  Ta141  1  1.011005  0.095550  0.570349  1
  Ta  Ta142  1  1.011005  0.277742  0.616921  1
  Ta  Ta143  1  1.011005  0.633873  0.539303  1
  Ta  Ta144  1  1.011005  0.900893  0.658814  1
  Ta  Ta145  1  0.511005  0.355630  0.675681  1
  Ta  Ta146  1  0.511005  0.713689  0.662122  1
  Ta  Ta147  1  0.511005  0.078539  0.606445  1
  Ta  Ta148  1  0.511005  0.297206  0.571891  1
  Ta  Ta149  1  0.511005  0.540860  0.688271  1
  Ta  Ta150  1  0.511005  0.939688  0.647354  1
  Ta  Ta151  1  1.011005  0.603159  0.602103  1
  Ta  Ta152  1  1.011005  0.852034  0.704185  1
  Ta  Ta153  1  1.011005  0.213593  0.650712  1
  Ta  Ta154  1  1.011005  0.445211  0.620244  1
  Ta  Ta155  1  1.011005  0.806770  0.600865  1
  Ta  Ta156  1  1.011005  0.058586  0.697132  1
  Ta  Ta157  1  0.511005  0.261246  0.659894  1
  Ta  Ta158  1  0.511005  0.585698  0.633043  1
  Ta  Ta159  1  0.511005  0.952015  0.585758  1
  Ta  Ta160  1  0.511005  0.466380  0.591445  1
  Ta  Ta161  1  0.511005  0.818628  0.571516  1
  Ta  Ta162  1  0.511005  0.089098  0.662400  1
  Ta  Ta163  1  1.011005  0.367754  0.631579  1
  Ta  Ta164  1  1.011005  0.679782  0.584209  1
  Ta  Ta165  1  1.011005  0.977072  0.671839  1
  Ta  Ta166  1  1.011005  0.308368  0.668165  1
  Ta  Ta167  1  1.011005  0.650199  0.644987  1
  Ta  Ta168  1  1.011005  0.022407  0.591429  1
  Ta  Ta169  1  0.511005  0.420692  0.645588  1
  Ta  Ta170  1  0.511005  0.741548  0.593955  1
  Ta  Ta171  1  0.511005  0.013670  0.683218  1
  Ta  Ta172  1  0.511005  0.323006  0.625577  1
  Ta  Ta173  1  0.511005  0.665858  0.616388  1
  Ta  Ta174  1  0.511005  0.925649  0.699208  1
  Ta  Ta175  1  1.011005  0.525563  0.615519  1
  Ta  Ta176  1  1.011005  0.885716  0.581218  1
  Ta  Ta177  1  1.011005  0.134813  0.675540  1
  Ta  Ta178  1  1.011005  0.491765  0.563793  1
  Ta  Ta179  1  1.011005  0.763707  0.679271  1
  Ta  Ta180  1  1.011005  0.122063  0.623668  1
  Ta  Ta181  1  0.511005  0.502729  0.642515  1
  Ta  Ta182  1  0.511005  0.872415  0.615940  1
  Ta  Ta183  1  0.511005  0.209401  0.552631  1
  Ta  Ta184  1  0.511005  0.542334  0.586558  1
  Ta  Ta185  1  0.511005  0.794716  0.694465  1
  Ta  Ta186  1  0.511005  0.166635  0.640874  1
  Ta  Ta187  1  1.011005  0.339766  0.579806  1
  Ta  Ta188  1  1.011005  0.570544  0.663067  1
  Ta  Ta189  1  1.011005  0.951888  0.616438  1
  Ta  Ta190  1  1.011005  0.414719  0.564275  1
  Ta  Ta191  1  1.011005  0.686140  0.690366  1
  Ta  Ta192  1  1.011005  0.048583  0.644436  1
  Ta  Ta193  1  0.511005  0.451576  0.694204  1
  Ta  Ta194  1  0.511005  0.788688  0.637443  1
  Ta  Ta195  1  0.511005  0.147326  0.584539  1
  Ta  Ta196  1  0.511005  0.615585  0.570537  1
  Ta  Ta197  1  0.511005  0.860524  0.670971  1
  Ta  Ta198  1  0.511005  0.233177  0.607829  1
