# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51942760
_cell_length_b   21.14835491
_cell_length_c   49.34559156
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95070370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta264
_cell_volume   10977.8400284
_cell_formula_units_Z   264
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  0.255304  0.825440  0.344639  1
  Ta  Ta2  1  0.344464  0.295037  0.291674  1
  Ta  Ta3  1  0.761772  0.040274  0.330907  1
  Ta  Ta4  1  0.737858  0.464829  0.293011  1
  Ta  Ta5  1  0.587580  0.840167  0.333833  1
  Ta  Ta6  1  0.619298  0.267113  0.301170  1
  Ta  Ta7  1  0.019402  0.653813  0.284632  1
  Ta  Ta8  1  0.163037  0.206811  0.317213  1
  Ta  Ta9  1  0.581509  0.963561  0.353039  1
  Ta  Ta10  1  0.545741  0.391724  0.316392  1
  Ta  Ta11  1  0.933929  0.125535  0.296958  1
  Ta  Ta12  1  0.925143  0.679386  0.332005  1
  Ta  Ta13  1  0.111938  0.912916  0.309562  1
  Ta  Ta14  1  0.090075  0.465618  0.348009  1
  Ta  Ta15  1  0.443745  0.185884  0.325501  1
  Ta  Ta16  1  0.427813  0.623554  0.300981  1
  Ta  Ta17  1  0.997630  0.008947  0.338629  1
  Ta  Ta18  1  0.982883  0.417855  0.301680  1
  Ta  Ta19  1  0.451410  0.048365  0.319879  1
  Ta  Ta20  1  0.459644  0.501524  0.287436  1
  Ta  Ta21  1  0.749101  0.183371  0.333243  1
  Ta  Ta22  1  0.727773  0.617465  0.293109  1
  Ta  Ta23  1  0.850264  0.891792  0.321813  1
  Ta  Ta24  1  0.916344  0.259460  0.302997  1
  Ta  Ta25  1  0.651944  0.111899  0.292863  1
  Ta  Ta26  1  0.619447  0.695715  0.330137  1
  Ta  Ta27  1  0.811777  0.764477  0.301699  1
  Ta  Ta28  1  0.799976  0.350023  0.333998  1
  Ta  Ta29  1  0.258675  0.119944  0.355527  1
  Ta  Ta30  1  0.197948  0.557831  0.316204  1
  Ta  Ta31  1  0.390315  0.907480  0.311374  1
  Ta  Ta32  1  0.389843  0.489149  0.345173  1
  Ta  Ta33  1  0.173253  0.061670  0.306409  1
  Ta  Ta34  1  0.192477  0.682351  0.334833  1
  Ta  Ta35  1  0.271088  0.979443  0.348473  1
  Ta  Ta36  1  0.267150  0.416529  0.309110  1
  Ta  Ta37  1  0.903653  0.000220  0.285813  1
  Ta  Ta38  1  0.921054  0.548997  0.315330  1
  Ta  Ta39  1  0.636542  0.959703  0.295974  1
  Ta  Ta40  1  0.613812  0.537488  0.329361  1
  Ta  Ta41  1  0.390778  0.755623  0.309494  1
  Ta  Ta42  1  0.382205  0.309314  0.344288  1
  Ta  Ta43  1  0.092731  0.781006  0.299559  1
  Ta  Ta44  1  0.108061  0.329764  0.331991  1
  Ta  Ta45  1  0.255476  0.964162  0.416844  1
  Ta  Ta46  1  0.261710  0.394913  0.377044  1
  Ta  Ta47  1  0.760457  0.184239  0.394595  1
  Ta  Ta48  1  0.759298  0.609982  0.361044  1
  Ta  Ta49  1  0.594306  0.986633  0.409348  1
  Ta  Ta50  1  0.572970  0.413912  0.370800  1
  Ta  Ta51  1  1.009035  0.797708  0.350822  1
  Ta  Ta52  1  1.007653  0.370336  0.384858  1
  Ta  Ta53  1  0.585553  0.115254  0.423919  1
  Ta  Ta54  1  0.579198  0.541497  0.388015  1
  Ta  Ta55  1  0.924825  0.256485  0.362151  1
  Ta  Ta56  1  0.924830  0.827949  0.404339  1
  Ta  Ta57  1  0.100374  0.042299  0.387054  1
  Ta  Ta58  1  0.089753  0.613670  0.422380  1
  Ta  Ta59  1  0.438048  0.326774  0.405167  1
  Ta  Ta60  1  0.438500  0.755957  0.369032  1
  Ta  Ta61  1  1.010394  0.157287  0.406436  1
  Ta  Ta62  1  1.010192  0.583199  0.368415  1
  Ta  Ta63  1  0.441281  0.200231  0.388914  1
  Ta  Ta64  1  0.430732  0.629804  0.354778  1
  Ta  Ta65  1  0.757119  0.345517  0.396618  1
  Ta  Ta66  1  0.759301  0.773051  0.362321  1
  Ta  Ta67  1  0.822653  0.049336  0.387104  1
  Ta  Ta68  1  0.817075  0.467354  0.353079  1
  Ta  Ta69  1  0.617626  0.272416  0.360833  1
  Ta  Ta70  1  0.623504  0.843683  0.398639  1
  Ta  Ta71  1  0.812982  0.921122  0.373639  1
  Ta  Ta72  1  0.821151  0.491797  0.406457  1
  Ta  Ta73  1  0.205879  0.278957  0.426131  1
  Ta  Ta74  1  0.200847  0.704162  0.388749  1
  Ta  Ta75  1  0.400632  0.044905  0.387157  1
  Ta  Ta76  1  0.396742  0.631374  0.416706  1
  Ta  Ta77  1  0.185248  0.245437  0.374439  1
  Ta  Ta78  1  0.191837  0.823822  0.407204  1
  Ta  Ta79  1  0.267110  0.132557  0.417746  1
  Ta  Ta80  1  0.257461  0.559352  0.380109  1
  Ta  Ta81  1  0.986278  0.136512  0.349878  1
  Ta  Ta82  1  0.931761  0.700127  0.389203  1
  Ta  Ta83  1  0.585534  0.108063  0.361697  1
  Ta  Ta84  1  0.621149  0.684370  0.396782  1
  Ta  Ta85  1  0.400359  0.892772  0.380137  1
  Ta  Ta86  1  0.395373  0.469674  0.414210  1
  Ta  Ta87  1  0.084181  0.911039  0.370548  1
  Ta  Ta88  1  0.091708  0.484896  0.406431  1
  Ta  Ta89  1  0.265072  0.118399  0.486617  1
  Ta  Ta90  1  0.262728  0.543233  0.450747  1
  Ta  Ta91  1  0.761683  0.330558  0.467430  1
  Ta  Ta92  1  0.758777  0.756201  0.433046  1
  Ta  Ta93  1  0.584966  0.135169  0.479832  1
  Ta  Ta94  1  0.581299  0.561064  0.443636  1
  Ta  Ta95  1  1.004483  0.945541  0.424262  1
  Ta  Ta96  1  1.011401  0.517336  0.459740  1
  Ta  Ta97  1  0.587218  0.262130  0.494647  1
  Ta  Ta98  1  0.581315  0.687297  0.459295  1
  Ta  Ta99  1  0.929223  0.400697  0.438898  1
  Ta  Ta100  1  0.929236  0.975630  0.477542  1
  Ta  Ta101  1  0.092858  0.189342  0.458944  1
  Ta  Ta102  1  0.093385  0.761503  0.495544  1
  Ta  Ta103  1  0.441896  0.474434  0.476975  1
  Ta  Ta104  1  0.442912  0.901488  0.441634  1
  Ta  Ta105  1  1.013132  0.305477  0.477694  1
  Ta  Ta106  1  1.010692  0.730108  0.442518  1
  Ta  Ta107  1  0.442306  0.348651  0.461310  1
  Ta  Ta108  1  0.437604  0.774768  0.425902  1
  Ta  Ta109  1  0.760145  0.491637  0.469447  1
  Ta  Ta110  1  0.757275  0.915037  0.436640  1
  Ta  Ta111  1  0.822991  0.186155  0.459269  1
  Ta  Ta112  1  0.819176  0.612186  0.424055  1
  Ta  Ta113  1  0.622724  0.418600  0.433310  1
  Ta  Ta114  1  0.625138  0.992596  0.471319  1
  Ta  Ta115  1  0.822946  0.063853  0.442567  1
  Ta  Ta116  1  0.824283  0.637449  0.478054  1
  Ta  Ta117  1  0.203575  0.426464  0.496653  1
  Ta  Ta118  1  0.202971  0.850587  0.461310  1
  Ta  Ta119  1  0.403472  0.206466  0.452540  1
  Ta  Ta120  1  0.397010  0.777662  0.488944  1
  Ta  Ta121  1  0.199461  0.399343  0.442309  1
  Ta  Ta122  1  0.198740  0.971527  0.479480  1
  Ta  Ta123  1  0.265913  0.280688  0.488437  1
  Ta  Ta124  1  0.262615  0.705020  0.452432  1
  Ta  Ta125  1  0.935865  0.273803  0.422984  1
  Ta  Ta126  1  0.933942  0.846423  0.462346  1
  Ta  Ta127  1  0.626114  0.257738  0.431542  1
  Ta  Ta128  1  0.621222  0.828693  0.469462  1
  Ta  Ta129  1  0.400491  0.042175  0.451659  1
  Ta  Ta130  1  0.399529  0.616740  0.486769  1
  Ta  Ta131  1  0.094522  0.060365  0.444493  1
  Ta  Ta132  1  0.096144  0.632983  0.480455  1
  Ta  Ta133  1  0.269823  0.266864  0.557719  1
  Ta  Ta134  1  0.263969  0.689136  0.523715  1
  Ta  Ta135  1  0.764373  0.477370  0.540337  1
  Ta  Ta136  1  0.757638  0.903037  0.505041  1
  Ta  Ta137  1  0.588071  0.282612  0.550838  1
  Ta  Ta138  1  0.582832  0.708604  0.515440  1
  Ta  Ta139  1  1.012462  0.092293  0.496878  1
  Ta  Ta140  1  1.011267  0.665167  0.532782  1
  Ta  Ta141  1  0.590989  0.408557  0.566855  1
  Ta  Ta142  1  0.578021  0.834898  0.531767  1
  Ta  Ta143  1  0.930826  0.548862  0.512369  1
  Ta  Ta144  1  0.938526  0.121887  0.550204  1
  Ta  Ta145  1  0.094692  0.338076  0.531192  1
  Ta  Ta146  1  0.086703  0.912719  0.567571  1
  Ta  Ta147  1  0.448928  0.619508  0.548280  1
  Ta  Ta148  1  0.439059  0.049023  0.513595  1
  Ta  Ta149  1  0.016470  0.454075  0.550870  1
  Ta  Ta150  1  1.010223  0.878113  0.515190  1
  Ta  Ta151  1  0.446771  0.494833  0.533241  1
  Ta  Ta152  1  0.439539  0.921826  0.497591  1
  Ta  Ta153  1  0.760912  0.639488  0.541802  1
  Ta  Ta154  1  0.761113  0.067040  0.506511  1
  Ta  Ta155  1  0.825365  0.331397  0.531297  1
  Ta  Ta156  1  0.821370  0.757819  0.496159  1
  Ta  Ta157  1  0.626968  0.565465  0.505589  1
  Ta  Ta158  1  0.626745  0.139643  0.542527  1
  Ta  Ta159  1  0.826392  0.210220  0.513996  1
  Ta  Ta160  1  0.824466  0.786880  0.549659  1
  Ta  Ta161  1  0.203829  0.578440  0.570577  1
  Ta  Ta162  1  0.193736  0.000450  0.533420  1
  Ta  Ta163  1  0.403595  0.354125  0.523963  1
  Ta  Ta164  1  0.397059  0.930902  0.558531  1
  Ta  Ta165  1  0.203039  0.546314  0.515976  1
  Ta  Ta166  1  0.209579  0.121330  0.549518  1
  Ta  Ta167  1  0.267757  0.429690  0.560109  1
  Ta  Ta168  1  0.262736  0.853359  0.524667  1
  Ta  Ta169  1  0.932631  0.420905  0.497359  1
  Ta  Ta170  1  0.924145  0.994273  0.535001  1
  Ta  Ta171  1  0.627838  0.404299  0.504016  1
  Ta  Ta172  1  0.621888  0.979629  0.540366  1
  Ta  Ta173  1  0.404190  0.192464  0.522045  1
  Ta  Ta174  1  0.394969  0.760753  0.559197  1
  Ta  Ta175  1  0.095465  0.209535  0.516258  1
  Ta  Ta176  1  0.099858  0.779272  0.553050  1
  Ta  Ta177  1  0.274259  0.412771  0.630832  1
  Ta  Ta178  1  0.267953  0.845905  0.591566  1
  Ta  Ta179  1  0.761569  0.626604  0.612874  1
  Ta  Ta180  1  0.757600  0.051294  0.577492  1
  Ta  Ta181  1  0.592168  0.427354  0.623542  1
  Ta  Ta182  1  0.569785  0.854943  0.587771  1
  Ta  Ta183  1  0.017793  0.239679  0.568829  1
  Ta  Ta184  1  0.998524  0.822099  0.602020  1
  Ta  Ta185  1  0.603802  0.551939  0.638913  1
  Ta  Ta186  1  0.574121  0.980647  0.603686  1
  Ta  Ta187  1  0.924016  0.697761  0.584642  1
  Ta  Ta188  1  0.948440  0.273516  0.622073  1
  Ta  Ta189  1  0.096117  0.485102  0.604817  1
  Ta  Ta190  1  0.085782  0.060077  0.641446  1
  Ta  Ta191  1  0.430808  0.765235  0.619917  1
  Ta  Ta192  1  0.444295  0.196968  0.584621  1
  Ta  Ta193  1  1.011332  0.597994  0.625832  1
  Ta  Ta194  1  1.010329  0.024732  0.588795  1
  Ta  Ta195  1  0.443916  0.639333  0.604441  1
  Ta  Ta196  1  0.439176  0.069675  0.569851  1
  Ta  Ta197  1  0.763055  0.793533  0.613132  1
  Ta  Ta198  1  0.765826  0.214731  0.577819  1
  Ta  Ta199  1  0.826745  0.478990  0.604730  1
  Ta  Ta200  1  0.806696  0.907865  0.568700  1
  Ta  Ta201  1  0.624984  0.714585  0.577352  1
  Ta  Ta202  1  0.631851  0.289864  0.613394  1
  Ta  Ta203  1  0.836057  0.358986  0.585363  1
  Ta  Ta204  1  0.829131  0.938171  0.623442  1
  Ta  Ta205  1  0.222635  0.679899  0.651915  1
  Ta  Ta206  1  0.195170  0.144878  0.602952  1
  Ta  Ta207  1  0.407678  0.499483  0.595865  1
  Ta  Ta208  1  0.400519  0.078717  0.631379  1
  Ta  Ta209  1  0.186926  0.701417  0.595692  1
  Ta  Ta210  1  0.224955  0.267588  0.620078  1
  Ta  Ta211  1  0.271837  0.566763  0.633308  1
  Ta  Ta212  1  0.264040  -0.001154  0.598287  1
  Ta  Ta213  1  0.932948  0.568885  0.570871  1
  Ta  Ta214  1  0.921614  0.140494  0.608070  1
  Ta  Ta215  1  0.631294  0.551045  0.576345  1
  Ta  Ta216  1  0.623516  0.126513  0.612008  1
  Ta  Ta217  1  0.408681  0.340817  0.593915  1
  Ta  Ta218  1  0.382760  0.903664  0.636050  1
  Ta  Ta219  1  0.105056  0.357456  0.589040  1
  Ta  Ta220  1  0.107865  0.925020  0.630677  1
  Ta  Ta221  1  0.308039  0.578351  0.696275  1
  Ta  Ta222  1  0.273680  0.995240  0.666868  1
  Ta  Ta223  1  0.734778  0.783431  0.683262  1
  Ta  Ta224  1  0.764836  0.204017  0.645492  1
  Ta  Ta225  1  0.602541  0.556669  0.696212  1
  Ta  Ta226  1  0.569559  0.005112  0.657971  1
  Ta  Ta227  1  0.024191  0.388424  0.642379  1
  Ta  Ta228  1  0.988855  0.977235  0.677861  1
  Ta  Ta229  1  0.552172  0.689150  0.706407  1
  Ta  Ta230  1  0.590500  0.136525  0.673326  1
  Ta  Ta231  1  0.928275  0.850171  0.659584  1
  Ta  Ta232  1  0.948285  0.404377  0.693575  1
  Ta  Ta233  1  0.049026  0.619028  0.682737  1
  Ta  Ta234  1  0.120143  0.201967  0.709533  1
  Ta  Ta235  1  0.467716  0.918989  0.693424  1
  Ta  Ta236  1  0.448238  0.344114  0.658521  1
  Ta  Ta237  1  1.015533  0.750026  0.691939  1
  Ta  Ta238  1  0.039564  0.181811  0.654953  1
  Ta  Ta239  1  0.435910  0.788633  0.674618  1
  Ta  Ta240  1  0.453738  0.220344  0.640907  1
  Ta  Ta241  1  0.748861  0.935204  0.684485  1
  Ta  Ta242  1  0.779411  0.360845  0.647802  1
  Ta  Ta243  1  0.784505  0.641149  0.674340  1
  Ta  Ta244  1  0.804188  0.056345  0.642631  1
  Ta  Ta245  1  0.621118  0.865852  0.646701  1
  Ta  Ta246  1  0.648761  0.428494  0.683438  1
  Ta  Ta247  1  0.844742  0.508251  0.659109  1
  Ta  Ta248  1  0.882946  0.121499  0.687567  1
  Ta  Ta249  1  0.196130  0.870346  0.687557  1
  Ta  Ta250  1  0.181445  0.296665  0.671344  1
  Ta  Ta251  1  0.459313  0.642419  0.662623  1
  Ta  Ta252  1  0.399127  0.228671  0.698573  1
  Ta  Ta253  1  0.183227  0.798110  0.645019  1
  Ta  Ta254  1  0.242168  0.413884  0.691388  1
  Ta  Ta255  1  0.265811  0.718201  0.701906  1
  Ta  Ta256  1  0.272834  0.151692  0.665190  1
  Ta  Ta257  1  0.942487  0.718837  0.641791  1
  Ta  Ta258  1  0.915692  0.275341  0.683342  1
  Ta  Ta259  1  0.634294  0.713284  0.643025  1
  Ta  Ta260  1  0.642188  0.279333  0.681436  1
  Ta  Ta261  1  0.419547  0.487082  0.664252  1
  Ta  Ta262  1  0.406355  0.073286  0.699432  1
  Ta  Ta263  1  0.114445  0.502235  0.665452  1
  Ta  Ta264  1  0.129234  0.076822  0.699791  1
