# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85958851
_cell_length_b   17.58700302
_cell_length_c   51.23687629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04074610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   7082.29776689
_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  0.891037  0.656899  0.299041  1
  Ta  Ta2  1  0.891486  0.230937  0.411153  1
  Ta  Ta3  1  0.887586  0.446031  0.355192  1
  Ta  Ta4  1  0.390923  0.943595  0.354292  1
  Ta  Ta5  1  0.418820  0.165946  0.296087  1
  Ta  Ta6  1  0.392704  0.729315  0.410629  1
  Ta  Ta7  1  0.827565  0.773541  0.353622  1
  Ta  Ta8  1  0.827402  0.985426  0.299954  1
  Ta  Ta9  1  0.826023  0.559040  0.408684  1
  Ta  Ta10  1  0.070264  0.571668  0.264568  1
  Ta  Ta11  1  -0.008312  0.142578  0.369354  1
  Ta  Ta12  1  0.007395  0.355991  0.315695  1
  Ta  Ta13  1  0.644024  0.880595  0.326424  1
  Ta  Ta14  1  0.709529  0.105786  0.273825  1
  Ta  Ta15  1  0.639193  0.665935  0.381116  1
  Ta  Ta16  1  0.140546  1.007127  0.383810  1
  Ta  Ta17  1  0.146521  0.216726  0.325745  1
  Ta  Ta18  1  0.072583  0.408716  0.267985  1
  Ta  Ta19  1  0.640027  0.597973  0.270549  1
  Ta  Ta20  1  0.641084  0.170144  0.380726  1
  Ta  Ta21  1  0.621795  0.392164  0.327196  1
  Ta  Ta22  1  0.127875  0.723230  0.330023  1
  Ta  Ta23  1  0.148269  0.927853  0.277551  1
  Ta  Ta24  1  0.136499  0.507890  0.385275  1
  Ta  Ta25  1  0.486154  0.034375  0.396468  1
  Ta  Ta26  1  0.483961  0.252037  0.339930  1
  Ta  Ta27  1  0.407078  0.475176  0.286185  1
  Ta  Ta28  1  0.347516  0.828789  0.305266  1
  Ta  Ta29  1  0.326701  0.400905  0.413234  1
  Ta  Ta30  1  0.326873  0.614006  0.357028  1
  Ta  Ta31  1  0.074884  0.837005  0.382824  1
  Ta  Ta32  1  0.075731  0.046428  0.328081  1
  Ta  Ta33  1  0.037922  0.241674  0.274103  1
  Ta  Ta34  1  0.650391  0.859148  0.392980  1
  Ta  Ta35  1  0.651286  0.069226  0.337020  1
  Ta  Ta36  1  0.704613  0.299617  0.287959  1
  Ta  Ta37  1  0.073603  0.890991  0.331728  1
  Ta  Ta38  1  0.094590  0.092299  0.279726  1
  Ta  Ta39  1  0.073732  0.680146  0.387958  1
  Ta  Ta40  1  0.820748  0.966839  0.366089  1
  Ta  Ta41  1  0.822966  0.177617  0.315412  1
  Ta  Ta42  1  0.816653  0.752818  0.421057  1
  Ta  Ta43  1  0.326728  0.641928  0.295671  1
  Ta  Ta44  1  0.319414  0.204728  0.400155  1
  Ta  Ta45  1  0.312295  0.422994  0.345408  1
  Ta  Ta46  1  0.589715  0.707135  0.322694  1
  Ta  Ta47  1  0.571953  0.916918  0.269994  1
  Ta  Ta48  1  0.571985  0.494349  0.378020  1
  Ta  Ta49  1  0.156525  0.750514  0.269541  1
  Ta  Ta50  1  0.151249  0.314677  0.373722  1
  Ta  Ta51  1  0.130918  0.526134  0.317608  1
  Ta  Ta52  1  0.569329  0.754953  0.272274  1
  Ta  Ta53  1  0.571432  0.337849  0.383231  1
  Ta  Ta54  1  0.576864  0.551435  0.326444  1
  Ta  Ta55  1  0.334529  0.897075  0.410682  1
  Ta  Ta56  1  0.339644  0.112347  0.352506  1
  Ta  Ta57  1  0.335433  0.326047  0.295529  1
  Ta  Ta58  1  0.392882  0.785390  0.360102  1
  Ta  Ta59  1  0.406729  1.006768  0.303625  1
  Ta  Ta60  1  0.390500  0.573391  0.415774  1
  Ta  Ta61  1  0.875824  0.816370  0.294027  1
  Ta  Ta62  1  0.890799  0.386660  0.405966  1
  Ta  Ta63  1  0.887323  0.600353  0.349804  1
  Ta  Ta64  1  0.834635  0.064422  0.411134  1
  Ta  Ta65  1  0.833000  0.282982  0.354050  1
  Ta  Ta66  1  0.815165  0.482958  0.295528  1
  Ta  Ta67  1  0.893325  0.015790  0.467415  1
  Ta  Ta68  1  0.893956  0.585471  0.579208  1
  Ta  Ta69  1  0.894039  0.800511  0.523262  1
  Ta  Ta70  1  0.393932  0.300110  0.522199  1
  Ta  Ta71  1  0.392908  0.514850  0.466230  1
  Ta  Ta72  1  0.395239  0.084931  0.578192  1
  Ta  Ta73  1  0.826396  0.129879  0.520317  1
  Ta  Ta74  1  0.826908  0.344500  0.464255  1
  Ta  Ta75  1  0.826139  0.915239  0.576340  1
  Ta  Ta76  1  0.984724  0.926923  0.425027  1
  Ta  Ta77  1  0.983185  0.496471  0.536666  1
  Ta  Ta78  1  0.983351  0.711520  0.480801  1
  Ta  Ta79  1  0.639842  0.237545  0.492285  1
  Ta  Ta80  1  0.638681  0.451820  0.436508  1
  Ta  Ta81  1  0.638053  0.021510  0.547731  1
  Ta  Ta82  1  0.134306  0.360505  0.550517  1
  Ta  Ta83  1  0.134087  0.575107  0.494560  1
  Ta  Ta84  1  0.135162  0.790558  0.438951  1
  Ta  Ta85  1  0.636086  0.955576  0.438601  1
  Ta  Ta86  1  0.634558  0.525305  0.550736  1
  Ta  Ta87  1  0.635034  0.740195  0.494807  1
  Ta  Ta88  1  0.140738  0.078797  0.496901  1
  Ta  Ta89  1  0.140456  0.292663  0.440793  1
  Ta  Ta90  1  0.140638  0.863541  0.552960  1
  Ta  Ta91  1  0.482410  0.389430  0.564626  1
  Ta  Ta92  1  0.483594  0.603925  0.508676  1
  Ta  Ta93  1  0.484297  0.818985  0.452839  1
  Ta  Ta94  1  0.328858  0.186303  0.469175  1
  Ta  Ta95  1  0.327670  0.755802  0.580758  1
  Ta  Ta96  1  0.327591  0.970771  0.524795  1
  Ta  Ta97  1  0.074434  0.192770  0.549679  1
  Ta  Ta98  1  0.072851  0.407595  0.494111  1
  Ta  Ta99  1  0.072638  0.622347  0.438389  1
  Ta  Ta100  1  0.652043  0.216832  0.561393  1
  Ta  Ta101  1  0.650537  0.430565  0.504452  1
  Ta  Ta102  1  0.650013  0.645111  0.448642  1
  Ta  Ta103  1  0.074635  0.251782  0.499365  1
  Ta  Ta104  1  0.073738  0.466155  0.443653  1
  Ta  Ta105  1  0.077507  0.036124  0.555056  1
  Ta  Ta106  1  0.815668  0.323189  0.532396  1
  Ta  Ta107  1  0.815565  0.538083  0.476588  1
  Ta  Ta108  1  0.817841  0.104580  0.586424  1
  Ta  Ta109  1  0.316258  0.992034  0.456475  1
  Ta  Ta110  1  0.316111  0.562660  0.568768  1
  Ta  Ta111  1  0.316285  0.777379  0.512796  1
  Ta  Ta112  1  0.573975  0.064306  0.489541  1
  Ta  Ta113  1  0.573560  0.278757  0.433592  1
  Ta  Ta114  1  0.574754  0.848907  0.545633  1
  Ta  Ta115  1  0.150700  0.101794  0.429895  1
  Ta  Ta116  1  0.151432  0.669686  0.540701  1
  Ta  Ta117  1  0.151481  0.885207  0.484982  1
  Ta  Ta118  1  0.573281  0.123370  0.438864  1
  Ta  Ta119  1  0.573797  0.692894  0.551140  1
  Ta  Ta120  1  0.573633  0.908199  0.495146  1
  Ta  Ta121  1  0.330761  0.252678  0.578657  1
  Ta  Ta122  1  0.332150  0.467802  0.522475  1
  Ta  Ta123  1  0.332195  0.682610  0.466740  1
  Ta  Ta124  1  0.394398  0.144239  0.527602  1
  Ta  Ta125  1  0.392019  0.358793  0.471554  1
  Ta  Ta126  1  0.395071  0.929558  0.583433  1
  Ta  Ta127  1  0.891154  0.171956  0.461899  1
  Ta  Ta128  1  0.893651  0.741390  0.573618  1
  Ta  Ta129  1  0.892978  0.956602  0.517826  1
  Ta  Ta130  1  0.831650  0.417821  0.578799  1
  Ta  Ta131  1  0.832643  0.632708  0.522850  1
  Ta  Ta132  1  0.833039  0.848226  0.467016  1
  Ta  Ta133  1  0.892000  0.370209  0.635271  1
  Ta  Ta134  1  0.933259  0.964527  0.742853  1
  Ta  Ta135  1  0.896360  0.164941  0.688329  1
  Ta  Ta136  1  0.391881  0.656813  0.690637  1
  Ta  Ta137  1  0.396236  0.870401  0.633417  1
  Ta  Ta138  1  0.409105  0.459180  0.748240  1
  Ta  Ta139  1  0.842227  0.483742  0.687799  1
  Ta  Ta140  1  0.829334  0.699423  0.632111  1
  Ta  Ta141  1  0.817779  0.276688  0.738418  1
  Ta  Ta142  1  0.981752  0.281568  0.592263  1
  Ta  Ta143  1  0.963595  0.852952  0.701109  1
  Ta  Ta144  1  0.975731  0.065642  0.647618  1
  Ta  Ta145  1  0.642554  0.593906  0.660971  1
  Ta  Ta146  1  0.640617  0.806407  0.603808  1
  Ta  Ta147  1  0.583948  0.378025  0.710802  1
  Ta  Ta148  1  0.150593  0.725022  0.720914  1
  Ta  Ta149  1  0.133650  0.925231  0.662257  1
  Ta  Ta150  1  0.131834  0.143106  0.605589  1
  Ta  Ta151  1  0.631169  0.312617  0.606961  1
  Ta  Ta152  1  0.637683  0.883049  0.720141  1
  Ta  Ta153  1  0.627198  0.097216  0.665305  1
  Ta  Ta154  1  0.141230  0.435468  0.663965  1
  Ta  Ta155  1  0.140134  0.648517  0.609056  1
  Ta  Ta156  1  0.142694  0.221931  0.718269  1
  Ta  Ta157  1  0.536731  0.742247  0.729960  1
  Ta  Ta158  1  0.483606  0.956563  0.676653  1
  Ta  Ta159  1  0.478449  0.174253  0.620786  1
  Ta  Ta160  1  0.327157  0.543369  0.637039  1
  Ta  Ta161  1  0.255025  0.098918  0.743455  1
  Ta  Ta162  1  0.311955  0.320889  0.688140  1
  Ta  Ta163  1  0.068606  0.554800  0.721458  1
  Ta  Ta164  1  0.076596  0.760907  0.661921  1
  Ta  Ta165  1  0.076177  0.976768  0.605718  1
  Ta  Ta166  1  0.651276  0.566323  0.722260  1
  Ta  Ta167  1  0.654196  0.785216  0.671430  1
  Ta  Ta168  1  0.649591  1.005086  0.617364  1
  Ta  Ta169  1  0.074958  0.607504  0.669164  1
  Ta  Ta170  1  0.075725  0.820870  0.611165  1
  Ta  Ta171  1  0.124517  0.393172  0.723837  1
  Ta  Ta172  1  0.828978  0.684929  0.700708  1
  Ta  Ta173  1  0.815447  0.892924  0.643213  1
  Ta  Ta174  1  0.807055  0.437608  0.743281  1
  Ta  Ta175  1  0.314726  0.348609  0.624296  1
  Ta  Ta176  1  0.269936  0.904166  0.729602  1
  Ta  Ta177  1  0.311732  0.137728  0.679765  1
  Ta  Ta178  1  0.571438  0.423575  0.657421  1
  Ta  Ta179  1  0.575792  0.634305  0.601700  1
  Ta  Ta180  1  0.555046  0.199265  0.713451  1
  Ta  Ta181  1  0.149557  0.455961  0.596814  1
  Ta  Ta182  1  0.146378  0.027508  0.701622  1
  Ta  Ta183  1  0.139445  0.240070  0.650335  1
  Ta  Ta184  1  0.572684  0.479174  0.607025  1
  Ta  Ta185  1  0.545338  0.040075  0.721122  1
  Ta  Ta186  1  0.581598  0.264514  0.662937  1
  Ta  Ta187  1  0.351622  0.612905  0.745567  1
  Ta  Ta188  1  0.342229  0.817352  0.688749  1
  Ta  Ta189  1  0.326406  0.038104  0.636066  1
  Ta  Ta190  1  0.374734  0.502767  0.695863  1
  Ta  Ta191  1  0.394787  0.713690  0.639204  1
  Ta  Ta192  1  0.406171  0.293425  0.747689  1
  Ta  Ta193  1  0.893255  0.527696  0.629914  1
  Ta  Ta194  1  0.870241  0.113317  0.736066  1
  Ta  Ta195  1  0.892105  0.323006  0.688022  1
  Ta  Ta196  1  0.886949  0.797594  0.748136  1
  Ta  Ta197  1  0.821036  0.992496  0.690783  1
  Ta  Ta198  1  0.821960  0.198441  0.631996  1
