# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.22642933
_cell_length_b   13.11987494
_cell_length_c   47.10731129
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.89795127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7049.71688546
_cell_formula_units_Z   176
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  0.006128  0.986298  0.365212  1
  Ta  Ta2  1  0.650427  0.058363  0.317685  1
  Ta  Ta3  1  0.449246  0.740167  0.293408  1
  Ta  Ta4  1  0.833484  0.590161  0.342324  1
  Ta  Ta5  1  0.094919  0.755634  0.342714  1
  Ta  Ta6  1  0.781131  0.873295  0.282657  1
  Ta  Ta7  1  0.208403  0.435938  0.301179  1
  Ta  Ta8  1  0.692851  0.269790  0.308533  1
  Ta  Ta9  1  0.530643  0.920042  0.283228  1
  Ta  Ta10  1  0.869866  0.795398  0.335713  1
  Ta  Ta11  1  0.459394  0.502324  0.299616  1
  Ta  Ta12  1  0.805817  0.389668  0.349119  1
  Ta  Ta13  1  0.188221  0.238245  0.304795  1
  Ta  Ta14  1  0.543234  0.227400  0.359921  1
  Ta  Ta15  1  0.173253  0.896398  0.317446  1
  Ta  Ta16  1  0.499953  0.797012  0.384135  1
  Ta  Ta17  1  0.298253  0.270378  0.357550  1
  Ta  Ta18  1  0.953304  0.435087  0.301194  1
  Ta  Ta19  1  0.392573  0.893108  0.336562  1
  Ta  Ta20  1  0.729534  0.778212  0.387918  1
  Ta  Ta21  1  0.227661  0.648821  0.297530  1
  Ta  Ta22  1  0.569044  0.434315  0.350214  1
  Ta  Ta23  1  0.086145  0.556387  0.343335  1
  Ta  Ta24  1  0.727130  0.687274  0.291489  1
  Ta  Ta25  1  0.354408  0.681739  0.343152  1
  Ta  Ta26  1  0.022488  0.829424  0.284402  1
  Ta  Ta27  1  0.326931  0.480906  0.348539  1
  Ta  Ta28  1  0.981077  0.641949  0.293268  1
  Ta  Ta29  1  0.175732  0.094366  0.350387  1
  Ta  Ta30  1  0.541954  0.016169  0.372193  1
  Ta  Ta31  1  0.277169  0.011243  0.288680  1
  Ta  Ta32  1  0.632109  0.845551  0.332964  1
  Ta  Ta33  1  0.338965  0.026941  0.389880  1
  Ta  Ta34  1  0.969295  0.191611  0.321321  1
  Ta  Ta35  1  0.413176  0.088834  0.324982  1
  Ta  Ta36  1  0.768123  0.975176  0.372825  1
  Ta  Ta37  1  0.051937  0.359232  0.353147  1
  Ta  Ta38  1  0.692244  0.493115  0.298907  1
  Ta  Ta39  1  0.962569  0.595109  0.390332  1
  Ta  Ta40  1  0.590805  0.642060  0.340903  1
  Ta  Ta41  1  0.233521  0.844634  0.381194  1
  Ta  Ta42  1  0.891224  0.006992  0.315660  1
  Ta  Ta43  1  0.441457  0.290170  0.308531  1
  Ta  Ta44  1  0.775919  0.175417  0.359057  1
  Ta  Ta45  1  0.700784  0.748388  0.483025  1
  Ta  Ta46  1  0.354439  0.853759  0.430970  1
  Ta  Ta47  1  0.182439  0.430864  0.400117  1
  Ta  Ta48  1  0.528859  0.304894  0.456139  1
  Ta  Ta49  1  0.782032  0.487625  0.453748  1
  Ta  Ta50  1  0.449307  0.606173  0.396194  1
  Ta  Ta51  1  0.953310  0.212319  0.387193  1
  Ta  Ta52  1  0.296813  0.081870  0.450262  1
  Ta  Ta53  1  0.206947  0.633214  0.394096  1
  Ta  Ta54  1  0.550057  0.501047  0.448211  1
  Ta  Ta55  1  0.158803  0.237263  0.406284  1
  Ta  Ta56  1  0.500283  0.118950  0.467503  1
  Ta  Ta57  1  0.884469  0.063562  0.416594  1
  Ta  Ta58  1  0.221840  0.935472  0.476517  1
  Ta  Ta59  1  0.835944  0.670405  0.436957  1
  Ta  Ta60  1  0.177198  0.547488  0.493364  1
  Ta  Ta61  1  0.980165  0.022109  0.471530  1
  Ta  Ta62  1  0.643934  0.141854  0.414664  1
  Ta  Ta63  1  0.066350  0.656332  0.444319  1
  Ta  Ta64  1  0.409317  0.532409  0.500256  1
  Ta  Ta65  1  0.916812  0.412595  0.405979  1
  Ta  Ta66  1  0.260482  0.289733  0.461857  1
  Ta  Ta67  1  0.797100  0.267815  0.449736  1
  Ta  Ta68  1  0.438642  0.394706  0.399599  1
  Ta  Ta69  1  0.043077  0.452668  0.450463  1
  Ta  Ta70  1  0.698768  0.568026  0.394615  1
  Ta  Ta71  1  0.027085  0.233785  0.454490  1
  Ta  Ta72  1  0.687427  0.350643  0.401783  1
  Ta  Ta73  1  0.809184  0.900271  0.440069  1
  Ta  Ta74  1  0.165765  0.765923  0.497099  1
  Ta  Ta75  1  0.965975  0.802934  0.393683  1
  Ta  Ta76  1  0.306995  0.677461  0.448202  1
  Ta  Ta77  1  0.931538  0.805752  0.488494  1
  Ta  Ta78  1  0.566689  0.938792  0.429805  1
  Ta  Ta79  1  0.091182  0.852151  0.434853  1
  Ta  Ta80  1  0.431833  0.726435  0.491858  1
  Ta  Ta81  1  0.735772  0.100449  0.471027  1
  Ta  Ta82  1  0.402346  0.204896  0.413282  1
  Ta  Ta83  1  0.654924  0.347674  0.499762  1
  Ta  Ta84  1  0.307756  0.469995  0.446177  1
  Ta  Ta85  1  0.917076  0.583511  0.495504  1
  Ta  Ta86  1  0.576254  0.702572  0.440242  1
  Ta  Ta87  1  0.125786  0.036477  0.416678  1
  Ta  Ta88  1  0.462806  0.913758  0.480965  1
  Ta  Ta89  1  0.387061  0.495765  0.596345  1
  Ta  Ta90  1  0.045349  0.626487  0.540126  1
  Ta  Ta91  1  0.870480  0.186600  0.511395  1
  Ta  Ta92  1  0.210795  0.064690  0.566009  1
  Ta  Ta93  1  0.459672  0.246875  0.568401  1
  Ta  Ta94  1  0.127909  0.363752  0.508860  1
  Ta  Ta95  1  0.651639  0.956653  0.501977  1
  Ta  Ta96  1  0.009663  0.832478  0.553224  1
  Ta  Ta97  1  0.894206  0.380581  0.502166  1
  Ta  Ta98  1  0.235760  0.259787  0.559098  1
  Ta  Ta99  1  0.839916  1.000450  0.523392  1
  Ta  Ta100  1  0.184517  0.880403  0.587950  1
  Ta  Ta101  1  0.568397  0.810578  0.532910  1
  Ta  Ta102  1  0.904643  0.704546  0.588930  1
  Ta  Ta103  1  0.522385  0.423502  0.548864  1
  Ta  Ta104  1  0.850152  0.301269  0.606230  1
  Ta  Ta105  1  0.662364  0.764931  0.588836  1
  Ta  Ta106  1  0.324514  0.890134  0.532054  1
  Ta  Ta107  1  0.753962  0.409023  0.553994  1
  Ta  Ta108  1  0.089656  0.277772  0.606344  1
  Ta  Ta109  1  0.599462  0.165401  0.521077  1
  Ta  Ta110  1  0.951954  0.061416  0.572798  1
  Ta  Ta111  1  0.497072  0.011577  0.562890  1
  Ta  Ta112  1  0.137222  0.147418  0.505180  1
  Ta  Ta113  1  0.724924  0.207313  0.563414  1
  Ta  Ta114  1  0.386778  0.330055  0.507427  1
  Ta  Ta115  1  0.740674  0.968461  0.574618  1
  Ta  Ta116  1  0.370043  0.110919  0.514916  1
  Ta  Ta117  1  0.506581  0.644310  0.553623  1
  Ta  Ta118  1  0.865740  0.513353  0.601788  1
  Ta  Ta119  1  0.647586  0.563689  0.502862  1
  Ta  Ta120  1  0.998095  0.447037  0.555324  1
  Ta  Ta121  1  0.619540  0.553824  0.600633  1
  Ta  Ta122  1  0.277338  0.680789  0.547983  1
  Ta  Ta123  1  0.774490  0.606756  0.546228  1
  Ta  Ta124  1  0.122285  0.481431  0.603091  1
  Ta  Ta125  1  0.419919  0.852987  0.587916  1
  Ta  Ta126  1  0.082276  0.977587  0.526728  1
  Ta  Ta127  1  0.336881  0.099194  0.608784  1
  Ta  Ta128  1  0.994707  0.239305  0.553632  1
  Ta  Ta129  1  0.600919  0.339059  0.608959  1
  Ta  Ta130  1  0.259511  0.462048  0.552023  1
  Ta  Ta131  1  0.804116  0.793747  0.535973  1
  Ta  Ta132  1  0.150205  0.676142  0.595845  1
  Ta  Ta133  1  0.069297  0.277649  0.705306  1
  Ta  Ta134  1  0.737674  0.468836  0.651638  1
  Ta  Ta135  1  0.546047  0.926257  0.630735  1
  Ta  Ta136  1  0.905521  0.809405  0.678862  1
  Ta  Ta137  1  0.113234  0.039000  0.684192  1
  Ta  Ta138  1  0.804335  0.109171  0.619228  1
  Ta  Ta139  1  0.357875  0.700339  0.615678  1
  Ta  Ta140  1  0.628799  0.626382  0.694615  1
  Ta  Ta141  1  0.571594  0.130176  0.616125  1
  Ta  Ta142  1  0.913943  0.011044  0.666405  1
  Ta  Ta143  1  0.537538  0.727214  0.644502  1
  Ta  Ta144  1  0.901786  0.582506  0.692338  1
  Ta  Ta145  1  0.266250  0.556799  0.646982  1
  Ta  Ta146  1  0.608292  0.411188  0.703881  1
  Ta  Ta147  1  0.199904  0.196985  0.658095  1
  Ta  Ta148  1  0.531290  0.026292  0.720259  1
  Ta  Ta149  1  0.364254  0.473310  0.702790  1
  Ta  Ta150  1  0.009703  0.644587  0.642519  1
  Ta  Ta151  1  0.438700  0.095695  0.666862  1
  Ta  Ta152  1  0.787059  0.979629  0.719526  1
  Ta  Ta153  1  0.307009  0.931405  0.645654  1
  Ta  Ta154  1  0.675195  0.835558  0.686030  1
  Ta  Ta155  1  0.138447  0.816048  0.652740  1
  Ta  Ta156  1  0.771636  0.885843  0.631687  1
  Ta  Ta157  1  0.446077  0.871269  0.691894  1
  Ta  Ta158  1  0.077487  0.066469  0.622455  1
  Ta  Ta159  1  0.347237  0.705691  0.682600  1
  Ta  Ta160  1  0.971379  0.883379  0.613325  1
  Ta  Ta161  1  0.174552  0.423906  0.671965  1
  Ta  Ta162  1  0.580396  0.213773  0.711411  1
  Ta  Ta163  1  0.323011  0.313781  0.618573  1
  Ta  Ta164  1  0.707214  0.262181  0.661705  1
  Ta  Ta165  1  0.330272  0.259422  0.707725  1
  Ta  Ta166  1  0.975767  0.421673  0.651241  1
  Ta  Ta167  1  0.460329  0.315631  0.661872  1
  Ta  Ta168  1  0.853190  0.166427  0.709050  1
  Ta  Ta169  1  0.128092  0.648755  0.696006  1
  Ta  Ta170  1  0.771214  0.673157  0.643672  1
  Ta  Ta171  1  0.052770  0.884794  0.711872  1
  Ta  Ta172  1  0.675255  0.055522  0.670511  1
  Ta  Ta173  1  0.287784  0.068497  0.710192  1
  Ta  Ta174  1  0.943118  0.228593  0.659075  1
  Ta  Ta175  1  0.504680  0.513671  0.653386  1
  Ta  Ta176  1  0.832439  0.396248  0.702498  1
