# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.55209354
_cell_length_b   23.94606721
_cell_length_c   51.39391686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93384087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12986.2649032
_cell_formula_units_Z   330
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  1.009516  0.109570  0.277978  1
  Ta  Ta2  1  0.030261  0.472044  0.333257  1
  Ta  Ta3  1  0.029446  0.792742  0.302479  1
  Ta  Ta4  1  0.522332  0.293014  0.302664  1
  Ta  Ta5  1  0.541127  0.608963  0.278316  1
  Ta  Ta6  1  0.522541  0.971921  0.332542  1
  Ta  Ta7  1  0.348762  0.171372  0.359969  1
  Ta  Ta8  1  0.351349  0.492472  0.332274  1
  Ta  Ta9  1  0.337062  0.816451  0.301922  1
  Ta  Ta10  1  0.780096  0.442459  0.334921  1
  Ta  Ta11  1  0.771929  0.764983  0.303649  1
  Ta  Ta12  1  0.767507  0.078064  0.274844  1
  Ta  Ta13  1  0.341252  0.212586  0.310717  1
  Ta  Ta14  1  0.347838  0.533923  0.284034  1
  Ta  Ta15  1  0.342844  0.892931  0.340363  1
  Ta  Ta16  1  0.691068  0.377826  0.291870  1
  Ta  Ta17  1  0.701121  0.733743  0.354978  1
  Ta  Ta18  1  0.696068  0.053625  0.322969  1
  Ta  Ta19  1  0.851896  0.234059  0.355377  1
  Ta  Ta20  1  0.855806  0.553301  0.323410  1
  Ta  Ta21  1  0.860962  0.877553  0.291234  1
  Ta  Ta22  1  0.210015  0.392972  0.340803  1
  Ta  Ta23  1  0.210341  0.712248  0.311008  1
  Ta  Ta24  1  0.203464  0.034179  0.283248  1
  Ta  Ta25  1  0.779805  0.265475  0.303930  1
  Ta  Ta26  1  0.783750  0.577738  0.275267  1
  Ta  Ta27  1  0.772498  0.942831  0.334154  1
  Ta  Ta28  1  0.214549  0.316782  0.302216  1
  Ta  Ta29  1  0.202883  0.671846  0.360467  1
  Ta  Ta30  1  0.201499  -0.007734  0.331332  1
  Ta  Ta31  1  0.530597  0.412781  0.339019  1
  Ta  Ta32  1  0.515898  0.731791  0.307571  1
  Ta  Ta33  1  0.508851  0.052285  0.279679  1
  Ta  Ta34  1  0.588506  0.227903  0.353301  1
  Ta  Ta35  1  0.590263  0.553090  0.329463  1
  Ta  Ta36  1  0.592203  0.863268  0.298952  1
  Ta  Ta37  1  0.401885  0.400476  0.294107  1
  Ta  Ta38  1  0.386558  0.753061  0.352850  1
  Ta  Ta39  1  0.386729  0.073487  0.323645  1
  Ta  Ta40  1  0.580740  0.156840  0.312655  1
  Ta  Ta41  1  0.601905  0.487499  0.288656  1
  Ta  Ta42  1  0.577674  0.834363  0.347870  1
  Ta  Ta43  1  0.973718  0.334492  0.348403  1
  Ta  Ta44  1  0.969642  0.656948  0.313234  1
  Ta  Ta45  1  0.950010  -0.012714  0.287982  1
  Ta  Ta46  1  0.165340  0.252984  0.352764  1
  Ta  Ta47  1  0.165314  0.573557  0.324253  1
  Ta  Ta48  1  0.150204  0.900156  0.293451  1
  Ta  Ta49  1  0.959886  0.363334  0.299484  1
  Ta  Ta50  1  0.964081  0.728602  0.353541  1
  Ta  Ta51  1  0.961675  0.053551  0.328548  1
  Ta  Ta52  1  0.035516  0.232082  0.307534  1
  Ta  Ta53  1  0.042707  0.552410  0.280314  1
  Ta  Ta54  1  1.022187  0.912829  0.338375  1
  Ta  Ta55  1  0.708284  0.331690  0.344338  1
  Ta  Ta56  1  0.705800  0.654021  0.314805  1
  Ta  Ta57  1  0.680212  0.966990  0.282736  1
  Ta  Ta58  1  0.393423  0.311195  0.347307  1
  Ta  Ta59  1  0.391477  0.629775  0.319733  1
  Ta  Ta60  1  0.388893  0.948938  0.289045  1
  Ta  Ta61  1  0.162712  0.449012  0.289614  1
  Ta  Ta62  1  0.158889  0.811381  0.347036  1
  Ta  Ta63  1  0.160606  0.129994  0.319146  1
  Ta  Ta64  1  0.844687  0.154669  0.314737  1
  Ta  Ta65  1  0.871858  0.466953  0.283342  1
  Ta  Ta66  1  0.843142  0.832081  0.343722  1
  Ta  Ta67  1  1.026009  0.152711  0.363157  1
  Ta  Ta68  1  0.028858  0.511966  0.423564  1
  Ta  Ta69  1  1.023518  0.831653  0.392292  1
  Ta  Ta70  1  0.528730  0.330427  0.392607  1
  Ta  Ta71  1  0.525775  0.653096  0.363683  1
  Ta  Ta72  1  0.526244  0.009816  0.422294  1
  Ta  Ta73  1  0.340891  0.208165  0.448371  1
  Ta  Ta74  1  0.348438  0.531750  0.421442  1
  Ta  Ta75  1  0.343291  0.850960  0.390791  1
  Ta  Ta76  1  0.781117  0.479016  0.429440  1
  Ta  Ta77  1  0.774091  0.801937  0.396800  1
  Ta  Ta78  1  0.773745  0.123708  0.365945  1
  Ta  Ta79  1  0.348979  0.250574  0.398854  1
  Ta  Ta80  1  0.347371  0.572689  0.371241  1
  Ta  Ta81  1  0.344652  0.930474  0.429573  1
  Ta  Ta82  1  0.712960  0.410355  0.387453  1
  Ta  Ta83  1  0.700872  0.774041  0.450821  1
  Ta  Ta84  1  0.702359  0.092889  0.419605  1
  Ta  Ta85  1  0.858320  0.274673  0.450900  1
  Ta  Ta86  1  0.844458  0.591490  0.418780  1
  Ta  Ta87  1  0.842106  0.911728  0.386284  1
  Ta  Ta88  1  0.211336  0.431824  0.429274  1
  Ta  Ta89  1  0.201767  0.751602  0.399309  1
  Ta  Ta90  1  0.205671  0.072468  0.370362  1
  Ta  Ta91  1  0.776778  0.300676  0.397740  1
  Ta  Ta92  1  0.777634  0.623226  0.366059  1
  Ta  Ta93  1  0.774352  -0.018517  0.428491  1
  Ta  Ta94  1  0.209345  0.350775  0.391150  1
  Ta  Ta95  1  0.200454  0.711652  0.449615  1
  Ta  Ta96  1  0.204878  0.029703  0.420071  1
  Ta  Ta97  1  0.530109  0.450648  0.429070  1
  Ta  Ta98  1  0.522719  0.771721  0.398841  1
  Ta  Ta99  1  0.525640  0.091260  0.368042  1
  Ta  Ta100  1  0.579803  0.257922  0.445788  1
  Ta  Ta101  1  0.583625  0.589396  0.415347  1
  Ta  Ta102  1  0.580726  0.911263  0.385541  1
  Ta  Ta103  1  0.393052  0.431861  0.383892  1
  Ta  Ta104  1  0.387800  0.792778  0.443896  1
  Ta  Ta105  1  0.391921  0.111107  0.413521  1
  Ta  Ta106  1  0.583098  0.191747  0.403922  1
  Ta  Ta107  1  0.584915  0.512248  0.377992  1
  Ta  Ta108  1  0.581747  0.872006  0.434712  1
  Ta  Ta109  1  0.970380  0.374616  0.435379  1
  Ta  Ta110  1  0.965363  0.693298  0.404233  1
  Ta  Ta111  1  0.971266  0.011882  0.376652  1
  Ta  Ta112  1  0.164934  0.292708  0.442963  1
  Ta  Ta113  1  0.159781  0.613026  0.413648  1
  Ta  Ta114  1  0.160725  0.931746  0.383394  1
  Ta  Ta115  1  0.975148  0.411284  0.385892  1
  Ta  Ta116  1  0.961974  0.767578  0.443894  1
  Ta  Ta117  1  0.965564  0.088545  0.414301  1
  Ta  Ta118  1  0.028630  0.270969  0.398734  1
  Ta  Ta119  1  1.026225  0.591696  0.368514  1
  Ta  Ta120  1  1.025019  0.951150  0.429005  1
  Ta  Ta121  1  0.695075  0.364376  0.441959  1
  Ta  Ta122  1  0.704074  0.692635  0.409041  1
  Ta  Ta123  1  0.710174  0.013493  0.376615  1
  Ta  Ta124  1  0.396295  0.348905  0.437826  1
  Ta  Ta125  1  0.387142  0.671312  0.408103  1
  Ta  Ta126  1  0.387933  -0.009117  0.377666  1
  Ta  Ta127  1  0.165344  0.491584  0.378469  1
  Ta  Ta128  1  0.157188  0.850148  0.437788  1
  Ta  Ta129  1  0.163020  0.169841  0.407735  1
  Ta  Ta130  1  0.846592  0.191947  0.409576  1
  Ta  Ta131  1  0.845113  0.512376  0.377052  1
  Ta  Ta132  1  0.845292  0.872216  0.440099  1
  Ta  Ta133  1  0.029720  0.190027  0.453471  1
  Ta  Ta134  1  0.028806  0.558683  0.515037  1
  Ta  Ta135  1  0.029641  0.873378  0.483992  1
  Ta  Ta136  1  0.528739  0.374390  0.484142  1
  Ta  Ta137  1  0.523933  0.692473  0.452942  1
  Ta  Ta138  1  0.530009  0.059651  0.515220  1
  Ta  Ta139  1  0.272142  0.272662  0.539349  1
  Ta  Ta140  1  0.335653  0.573248  0.509332  1
  Ta  Ta141  1  0.336637  0.889757  0.479218  1
  Ta  Ta142  1  0.718379  0.542575  0.520601  1
  Ta  Ta143  1  0.773750  0.845058  0.490775  1
  Ta  Ta144  1  0.773684  0.161756  0.460324  1
  Ta  Ta145  1  0.358025  0.291752  0.487233  1
  Ta  Ta146  1  0.344043  0.613542  0.459294  1
  Ta  Ta147  1  0.359390  0.975481  0.517729  1
  Ta  Ta148  1  0.698036  0.458166  0.481175  1
  Ta  Ta149  1  0.706996  0.825265  0.540985  1
  Ta  Ta150  1  0.701656  0.143194  0.510941  1
  Ta  Ta151  1  0.844177  0.319407  0.539850  1
  Ta  Ta152  1  0.857597  0.641251  0.511990  1
  Ta  Ta153  1  0.859218  0.957616  0.481475  1
  Ta  Ta154  1  0.198376  0.474948  0.517937  1
  Ta  Ta155  1  0.200789  0.789635  0.488272  1
  Ta  Ta156  1  0.206485  0.107556  0.458223  1
  Ta  Ta157  1  0.836050  0.360008  0.489908  1
  Ta  Ta158  1  0.771479  0.660449  0.459985  1
  Ta  Ta159  1  0.837523  0.043289  0.519937  1
  Ta  Ta160  1  0.218703  0.390448  0.478573  1
  Ta  Ta161  1  0.274381  0.771356  0.538972  1
  Ta  Ta162  1  0.274628  0.088121  0.508490  1
  Ta  Ta163  1  0.494195  0.486457  0.522477  1
  Ta  Ta164  1  0.512143  0.809962  0.491856  1
  Ta  Ta165  1  0.513353  0.127274  0.461442  1
  Ta  Ta166  1  0.523137  0.300355  0.540029  1
  Ta  Ta167  1  0.561914  0.627574  0.507185  1
  Ta  Ta168  1  0.579428  0.938338  0.476522  1
  Ta  Ta169  1  0.391395  0.475007  0.473133  1
  Ta  Ta170  1  0.461859  0.875826  0.534757  1
  Ta  Ta171  1  0.458682  0.192511  0.504516  1
  Ta  Ta172  1  0.658718  0.273656  0.495416  1
  Ta  Ta173  1  0.584144  0.556612  0.465479  1
  Ta  Ta174  1  0.661506  0.956872  0.525700  1
  Ta  Ta175  1  0.891165  0.457976  0.525960  1
  Ta  Ta176  1  0.957242  0.740678  0.494708  1
  Ta  Ta177  1  0.960649  0.057414  0.464479  1
  Ta  Ta178  1  0.084562  0.376604  0.533639  1
  Ta  Ta179  1  0.158238  0.659615  0.503813  1
  Ta  Ta180  1  0.160799  0.976271  0.473447  1
  Ta  Ta181  1  0.994423  0.446701  0.476683  1
  Ta  Ta182  1  1.013984  0.805588  0.537739  1
  Ta  Ta183  1  1.013180  0.123018  0.507395  1
  Ta  Ta184  1  0.062382  0.305417  0.492089  1
  Ta  Ta185  1  1.022885  0.632785  0.459254  1
  Ta  Ta186  1  0.079865  -0.005447  0.522684  1
  Ta  Ta187  1  0.663147  0.399268  0.530815  1
  Ta  Ta188  1  0.689871  0.729146  0.503342  1
  Ta  Ta189  1  0.689794  0.045309  0.472560  1
  Ta  Ta190  1  0.359202  0.385214  0.526259  1
  Ta  Ta191  1  0.387784  0.709277  0.497069  1
  Ta  Ta192  1  0.395746  0.023799  0.467047  1
  Ta  Ta193  1  0.163232  0.533818  0.468371  1
  Ta  Ta194  1  0.190447  0.887580  0.526621  1
  Ta  Ta195  1  0.190890  0.203811  0.495917  1
  Ta  Ta196  1  0.888275  0.223692  0.502185  1
  Ta  Ta197  1  0.858900  0.547850  0.472965  1
  Ta  Ta198  1  0.896237  0.909057  0.532140  1
  Ta  Ta199  1  1.024645  0.240482  0.546272  1
  Ta  Ta200  1  0.028444  0.602136  0.606340  1
  Ta  Ta201  1  1.027261  0.922886  0.576843  1
  Ta  Ta202  1  0.528941  0.420760  0.575715  1
  Ta  Ta203  1  0.529812  0.742995  0.545894  1
  Ta  Ta204  1  0.525717  0.100998  0.606841  1
  Ta  Ta205  1  0.276710  0.310161  0.633449  1
  Ta  Ta206  1  0.276771  0.632886  0.601848  1
  Ta  Ta207  1  0.275257  0.951734  0.570670  1
  Ta  Ta208  1  0.709371  0.581972  0.607979  1
  Ta  Ta209  1  0.706139  0.903164  0.579125  1
  Ta  Ta210  1  0.701332  0.221418  0.549481  1
  Ta  Ta211  1  0.342419  0.342178  0.580781  1
  Ta  Ta212  1  0.357879  0.658568  0.548536  1
  Ta  Ta213  1  0.341422  0.022106  0.613102  1
  Ta  Ta214  1  0.710958  0.500997  0.569855  1
  Ta  Ta215  1  0.706588  0.859710  0.628885  1
  Ta  Ta216  1  0.703930  0.181155  0.599638  1
  Ta  Ta217  1  0.848940  0.359518  0.627949  1
  Ta  Ta218  1  0.848273  0.682269  0.600124  1
  Ta  Ta219  1  0.845819  0.002355  0.569523  1
  Ta  Ta220  1  0.214392  0.523004  0.611738  1
  Ta  Ta221  1  0.203951  0.840235  0.579686  1
  Ta  Ta222  1  0.202375  0.159170  0.548551  1
  Ta  Ta223  1  0.848320  0.401155  0.577712  1
  Ta  Ta224  1  0.840832  0.724843  0.550755  1
  Ta  Ta225  1  0.845628  0.081823  0.608320  1
  Ta  Ta226  1  0.281754  0.454292  0.569671  1
  Ta  Ta227  1  0.277664  0.809677  0.633577  1
  Ta  Ta228  1  0.276220  0.131742  0.602777  1
  Ta  Ta229  1  0.476249  0.521807  0.613393  1
  Ta  Ta230  1  0.466687  0.844288  0.584907  1
  Ta  Ta231  1  0.463245  0.165514  0.555343  1
  Ta  Ta232  1  0.526896  0.340397  0.630827  1
  Ta  Ta233  1  0.528157  0.662098  0.600724  1
  Ta  Ta234  1  0.526008  -0.018140  0.570144  1
  Ta  Ta235  1  0.470064  0.558455  0.563907  1
  Ta  Ta236  1  0.473067  0.921873  0.621909  1
  Ta  Ta237  1  0.465864  0.240224  0.594820  1
  Ta  Ta238  1  0.660359  0.319819  0.585570  1
  Ta  Ta239  1  0.664352  0.640393  0.556355  1
  Ta  Ta240  1  0.663337  0.001016  0.615561  1
  Ta  Ta241  1  0.893261  0.500504  0.615039  1
  Ta  Ta242  1  0.892595  0.821605  0.585688  1
  Ta  Ta243  1  0.889186  0.140196  0.555370  1
  Ta  Ta244  1  0.087575  0.420608  0.620105  1
  Ta  Ta245  1  0.084209  0.741501  0.595052  1
  Ta  Ta246  1  0.083568  0.061041  0.564481  1
  Ta  Ta247  1  0.030353  0.482174  0.569874  1
  Ta  Ta248  1  1.027976  0.840773  0.631123  1
  Ta  Ta249  1  1.025158  0.161105  0.600400  1
  Ta  Ta250  1  0.081887  0.342589  0.583480  1
  Ta  Ta251  1  0.079411  0.674892  0.553410  1
  Ta  Ta252  1  0.080489  0.020949  0.613442  1
  Ta  Ta253  1  0.666082  0.440633  0.620758  1
  Ta  Ta254  1  0.662875  0.763271  0.591673  1
  Ta  Ta255  1  0.658583  0.082817  0.561284  1
  Ta  Ta256  1  0.347768  0.420967  0.622380  1
  Ta  Ta257  1  0.347709  0.741285  0.589971  1
  Ta  Ta258  1  0.346738  0.061063  0.559224  1
  Ta  Ta259  1  0.195163  0.568778  0.557327  1
  Ta  Ta260  1  0.212014  0.919334  0.622535  1
  Ta  Ta261  1  0.204604  0.240508  0.590428  1
  Ta  Ta262  1  0.888274  0.261480  0.591266  1
  Ta  Ta263  1  0.895648  0.583887  0.561250  1
  Ta  Ta264  1  0.889403  0.940985  0.621590  1
  Ta  Ta265  1  1.026069  0.279061  0.636245  1
  Ta  Ta266  1  1.022860  0.639263  0.696212  1
  Ta  Ta267  1  1.025676  0.959611  0.666505  1
  Ta  Ta268  1  0.531161  0.459678  0.666003  1
  Ta  Ta269  1  0.528616  0.779568  0.637040  1
  Ta  Ta270  1  0.533297  0.139805  0.696605  1
  Ta  Ta271  1  0.270983  0.357709  0.722500  1
  Ta  Ta272  1  0.279765  0.668449  0.695624  1
  Ta  Ta273  1  0.275107  -0.009724  0.664970  1
  Ta  Ta274  1  0.718208  0.614225  0.697173  1
  Ta  Ta275  1  0.705639  0.940252  0.667367  1
  Ta  Ta276  1  0.705865  0.261076  0.638828  1
  Ta  Ta277  1  0.355772  0.379031  0.675598  1
  Ta  Ta278  1  0.344941  0.701326  0.645362  1
  Ta  Ta279  1  0.362378  0.056242  0.708164  1
  Ta  Ta280  1  0.708717  0.539187  0.658237  1
  Ta  Ta281  1  0.705474  0.897875  0.714630  1
  Ta  Ta282  1  0.713326  0.220644  0.687985  1
  Ta  Ta283  1  0.851409  0.397837  0.713765  1
  Ta  Ta284  1  0.842569  0.720217  0.688292  1
  Ta  Ta285  1  0.847916  0.039282  0.658649  1
  Ta  Ta286  1  0.193739  0.555668  0.707503  1
  Ta  Ta287  1  0.200593  0.878732  0.675983  1
  Ta  Ta288  1  0.210561  0.201486  0.645587  1
  Ta  Ta289  1  0.851601  0.440007  0.666358  1
  Ta  Ta290  1  0.849061  0.761622  0.639359  1
  Ta  Ta291  1  0.838037  0.114651  0.697393  1
  Ta  Ta292  1  0.281226  0.490571  0.664253  1
  Ta  Ta293  1  0.285446  0.857510  0.722882  1
  Ta  Ta294  1  0.275989  0.169282  0.695961  1
  Ta  Ta295  1  0.462032  0.567701  0.699454  1
  Ta  Ta296  1  0.465779  0.880992  0.669647  1
  Ta  Ta297  1  0.474332  0.201803  0.644596  1
  Ta  Ta298  1  0.537091  0.377792  0.718043  1
  Ta  Ta299  1  0.536756  0.695034  0.690611  1
  Ta  Ta300  1  0.525568  0.020021  0.660615  1
  Ta  Ta301  1  0.472784  0.599301  0.650694  1
  Ta  Ta302  1  0.454639  0.947982  0.709886  1
  Ta  Ta303  1  0.457280  0.273409  0.684609  1
  Ta  Ta304  1  0.668927  0.357232  0.675123  1
  Ta  Ta305  1  0.666888  0.679917  0.646096  1
  Ta  Ta306  1  0.653965  0.031259  0.705656  1
  Ta  Ta307  1  0.902827  0.530648  0.704919  1
  Ta  Ta308  1  0.887620  0.857100  0.675782  1
  Ta  Ta309  1  0.888636  0.179523  0.645954  1
  Ta  Ta310  1  0.101999  0.447326  0.709076  1
  Ta  Ta311  1  0.098009  0.773247  0.684830  1
  Ta  Ta312  1  0.083731  0.098747  0.650865  1
  Ta  Ta313  1  0.031116  0.519981  0.659752  1
  Ta  Ta314  1  1.019813  0.877950  0.718585  1
  Ta  Ta315  1  1.019117  0.195279  0.690350  1
  Ta  Ta316  1  0.090594  0.381466  0.668411  1
  Ta  Ta317  1  0.080896  0.701915  0.644644  1
  Ta  Ta318  1  0.094301  0.067957  0.699791  1
  Ta  Ta319  1  0.664943  0.480626  0.709613  1
  Ta  Ta320  1  0.656637  0.802722  0.682409  1
  Ta  Ta321  1  0.663989  0.120293  0.652150  1
  Ta  Ta322  1  0.370979  0.464906  0.715971  1
  Ta  Ta323  1  0.364841  0.780799  0.686780  1
  Ta  Ta324  1  0.347864  0.101410  0.656072  1
  Ta  Ta325  1  0.208666  0.601254  0.655227  1
  Ta  Ta326  1  0.185597  0.964992  0.716477  1
  Ta  Ta327  1  0.189609  0.281597  0.686568  1
  Ta  Ta328  1  0.899948  0.302863  0.681667  1
  Ta  Ta329  1  0.891664  0.620240  0.651828  1
  Ta  Ta330  1  0.891653  -0.019192  0.710100  1
