# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.20820254
_cell_length_b   11.64559464
_cell_length_c   50.31760507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta216
_cell_volume   8283.96715331
_cell_formula_units_Z   216
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  0.904345  0.664354  0.295101  1
  Ta  Ta2  1  0.233180  0.337507  0.294641  1
  Ta  Ta3  1  0.202298  0.630028  0.323002  1
  Ta  Ta4  1  0.569133  1.002980  0.300812  1
  Ta  Ta5  1  0.535608  0.293231  0.322717  1
  Ta  Ta6  1  0.587292  0.733405  0.273242  1
  Ta  Ta7  1  0.943080  0.120673  0.250772  1
  Ta  Ta8  1  0.926044  0.385580  0.272847  1
  Ta  Ta9  1  0.253372  1.062579  0.273915  1
  Ta  Ta10  1  0.066163  0.504736  0.300325  1
  Ta  Ta11  1  0.404038  0.166180  0.296068  1
  Ta  Ta12  1  0.367872  0.461732  0.322983  1
  Ta  Ta13  1  0.735389  0.837203  0.294407  1
  Ta  Ta14  1  0.702446  0.127967  0.323636  1
  Ta  Ta15  1  0.753747  0.560343  0.273923  1
  Ta  Ta16  1  0.106365  0.954465  0.249936  1
  Ta  Ta17  1  0.089883  0.221744  0.272472  1
  Ta  Ta18  1  0.427572  0.904474  0.273451  1
  Ta  Ta19  1  0.867462  0.458669  0.322490  1
  Ta  Ta20  1  0.203629  0.128016  0.323364  1
  Ta  Ta21  1  0.253704  0.562155  0.274016  1
  Ta  Ta22  1  0.608722  0.960135  0.251307  1
  Ta  Ta23  1  0.585296  0.214250  0.273694  1
  Ta  Ta24  1  0.569708  0.500633  0.295912  1
  Ta  Ta25  1  0.926237  0.900426  0.272938  1
  Ta  Ta26  1  0.899170  0.173071  0.300194  1
  Ta  Ta27  1  0.232399  0.837218  0.293879  1
  Ta  Ta28  1  0.086528  0.718611  0.271710  1
  Ta  Ta29  1  0.420746  0.394487  0.274411  1
  Ta  Ta30  1  0.403143  0.669734  0.295785  1
  Ta  Ta31  1  0.759343  0.066928  0.273627  1
  Ta  Ta32  1  0.734838  0.333055  0.295465  1
  Ta  Ta33  1  0.701645  0.627380  0.322634  1
  Ta  Ta34  1  0.063141  1.010542  0.298892  1
  Ta  Ta35  1  0.104017  0.454727  0.251279  1
  Ta  Ta36  1  0.367866  0.958104  0.322955  1
  Ta  Ta37  1  0.814273  0.523121  0.375235  1
  Ta  Ta38  1  0.148683  0.191115  0.375747  1
  Ta  Ta39  1  0.121191  0.471304  0.401839  1
  Ta  Ta40  1  0.481307  0.856742  0.375223  1
  Ta  Ta41  1  0.453665  0.138395  0.401912  1
  Ta  Ta42  1  0.510263  0.573250  0.347737  1
  Ta  Ta43  1  0.867973  0.957933  0.322909  1
  Ta  Ta44  1  0.841211  0.244049  0.349873  1
  Ta  Ta45  1  0.177383  0.906146  0.347931  1
  Ta  Ta46  1  -0.018111  0.357364  0.375649  1
  Ta  Ta47  1  0.314433  1.023763  0.375294  1
  Ta  Ta48  1  0.287782  0.304899  0.401692  1
  Ta  Ta49  1  0.647920  0.689395  0.375200  1
  Ta  Ta50  1  0.620832  0.970742  0.401757  1
  Ta  Ta51  1  0.676203  0.408378  0.347776  1
  Ta  Ta52  1  0.036165  0.791768  0.321758  1
  Ta  Ta53  1  0.009254  0.074397  0.350035  1
  Ta  Ta54  1  0.343824  0.740480  0.347741  1
  Ta  Ta55  1  0.786965  0.305561  0.402231  1
  Ta  Ta56  1  0.120991  0.970017  0.401626  1
  Ta  Ta57  1  0.177872  0.407519  0.348469  1
  Ta  Ta58  1  0.535973  0.791123  0.322843  1
  Ta  Ta59  1  0.508271  0.076523  0.349565  1
  Ta  Ta60  1  0.481097  0.357368  0.375208  1
  Ta  Ta61  1  0.843056  0.739574  0.347606  1
  Ta  Ta62  1  0.814506  1.022999  0.375581  1
  Ta  Ta63  1  0.148346  0.691095  0.375476  1
  Ta  Ta64  1  0.008054  0.576165  0.349548  1
  Ta  Ta65  1  0.343474  0.242736  0.347751  1
  Ta  Ta66  1  0.314837  0.524437  0.375273  1
  Ta  Ta67  1  0.677867  0.904735  0.348513  1
  Ta  Ta68  1  0.647830  0.191818  0.375851  1
  Ta  Ta69  1  0.620472  0.471142  0.401572  1
  Ta  Ta70  1  -0.018902  0.854999  0.375174  1
  Ta  Ta71  1  0.037713  0.292405  0.322798  1
  Ta  Ta72  1  0.288026  0.804268  0.401515  1
  Ta  Ta73  1  0.731797  0.367548  0.454874  1
  Ta  Ta74  1  0.065332  1.033457  0.454628  1
  Ta  Ta75  1  0.037573  0.315270  0.481189  1
  Ta  Ta76  1  0.398842  0.700635  0.454610  1
  Ta  Ta77  1  0.371019  0.981954  0.481128  1
  Ta  Ta78  1  0.426222  0.419592  0.428172  1
  Ta  Ta79  1  0.787317  0.803618  0.401607  1
  Ta  Ta80  1  0.759383  0.085837  0.428392  1
  Ta  Ta81  1  0.092999  0.752659  0.428296  1
  Ta  Ta82  1  0.898485  0.200531  0.454865  1
  Ta  Ta83  1  0.232229  0.867137  0.454614  1
  Ta  Ta84  1  0.204280  0.148446  0.481080  1
  Ta  Ta85  1  0.565258  0.533968  0.454633  1
  Ta  Ta86  1  0.537592  0.815308  0.481164  1
  Ta  Ta87  1  0.592703  0.253142  0.428428  1
  Ta  Ta88  1  0.953620  0.637790  0.401929  1
  Ta  Ta89  1  0.926059  0.918611  0.428211  1
  Ta  Ta90  1  0.259815  0.586340  0.428217  1
  Ta  Ta91  1  0.704134  0.148485  0.481247  1
  Ta  Ta92  1  0.037571  0.815305  0.481186  1
  Ta  Ta93  1  0.093054  0.252916  0.428430  1
  Ta  Ta94  1  0.454361  0.637674  0.401466  1
  Ta  Ta95  1  0.426283  0.919221  0.428177  1
  Ta  Ta96  1  0.398615  0.200598  0.454680  1
  Ta  Ta97  1  0.759362  0.585767  0.428217  1
  Ta  Ta98  1  0.731812  0.866948  0.454677  1
  Ta  Ta99  1  0.065442  0.534133  0.454765  1
  Ta  Ta100  1  0.926320  0.419558  0.428474  1
  Ta  Ta101  1  0.259559  0.085874  0.428179  1
  Ta  Ta102  1  0.232157  0.367397  0.454662  1
  Ta  Ta103  1  0.592825  0.752430  0.428156  1
  Ta  Ta104  1  0.565275  1.033799  0.454694  1
  Ta  Ta105  1  0.537579  0.315315  0.481182  1
  Ta  Ta106  1  0.898448  0.700488  0.454769  1
  Ta  Ta107  1  0.953808  0.137967  0.402227  1
  Ta  Ta108  1  0.204413  0.648924  0.481169  1
  Ta  Ta109  1  0.648902  0.211065  0.534202  1
  Ta  Ta110  1  -0.017876  0.878141  0.534125  1
  Ta  Ta111  1  0.954458  0.158773  0.560371  1
  Ta  Ta112  1  0.315716  0.544592  0.533874  1
  Ta  Ta113  1  0.288050  0.826984  0.560658  1
  Ta  Ta114  1  0.343443  0.263015  0.507487  1
  Ta  Ta115  1  0.704159  0.648633  0.481194  1
  Ta  Ta116  1  0.676431  0.929801  0.507689  1
  Ta  Ta117  1  0.009963  0.596932  0.507664  1
  Ta  Ta118  1  0.815304  1.044236  0.534104  1
  Ta  Ta119  1  0.149005  0.711970  0.534142  1
  Ta  Ta120  1  0.121448  0.992603  0.560468  1
  Ta  Ta121  1  0.482422  0.377704  0.533982  1
  Ta  Ta122  1  0.454980  0.659177  0.560316  1
  Ta  Ta123  1  0.510065  0.096470  0.507626  1
  Ta  Ta124  1  0.870887  0.482123  0.481272  1
  Ta  Ta125  1  0.843060  0.763386  0.507726  1
  Ta  Ta126  1  0.176710  0.429842  0.507469  1
  Ta  Ta127  1  0.620927  0.992517  0.560804  1
  Ta  Ta128  1  0.954657  0.659935  0.560541  1
  Ta  Ta129  1  0.009865  0.096307  0.507542  1
  Ta  Ta130  1  0.371043  0.482069  0.481076  1
  Ta  Ta131  1  0.343454  0.763559  0.507629  1
  Ta  Ta132  1  0.315680  1.044750  0.534081  1
  Ta  Ta133  1  0.676630  0.429845  0.507647  1
  Ta  Ta134  1  0.648907  0.711447  0.534183  1
  Ta  Ta135  1  -0.017948  0.377779  0.533987  1
  Ta  Ta136  1  0.843105  0.263079  0.507683  1
  Ta  Ta137  1  0.176741  0.929974  0.507572  1
  Ta  Ta138  1  0.148824  0.211073  0.533949  1
  Ta  Ta139  1  0.510088  0.596626  0.507553  1
  Ta  Ta140  1  0.482293  0.878315  0.534207  1
  Ta  Ta141  1  0.455148  0.158886  0.560521  1
  Ta  Ta142  1  0.815555  0.544657  0.534124  1
  Ta  Ta143  1  0.870756  0.981632  0.481166  1
  Ta  Ta144  1  0.121308  0.492170  0.560125  1
  Ta  Ta145  1  0.565311  1.055547  0.614658  1
  Ta  Ta146  1  0.899654  0.722619  0.613244  1
  Ta  Ta147  1  0.870608  1.003424  0.640527  1
  Ta  Ta148  1  0.233107  0.387528  0.612580  1
  Ta  Ta149  1  0.204498  0.671194  0.639434  1
  Ta  Ta150  1  0.260217  0.107154  0.587096  1
  Ta  Ta151  1  0.621577  0.491916  0.560416  1
  Ta  Ta152  1  0.593752  0.774286  0.587229  1
  Ta  Ta153  1  0.926327  0.440508  0.586863  1
  Ta  Ta154  1  0.731083  0.890277  0.614400  1
  Ta  Ta155  1  0.066335  0.554283  0.612591  1
  Ta  Ta156  1  0.039291  0.840120  0.641155  1
  Ta  Ta157  1  0.400880  0.220241  0.613126  1
  Ta  Ta158  1  0.371127  0.504799  0.639779  1
  Ta  Ta159  1  0.427012  0.942047  0.587380  1
  Ta  Ta160  1  0.787639  0.325738  0.560635  1
  Ta  Ta161  1  0.760234  0.606685  0.586986  1
  Ta  Ta162  1  0.093139  0.273481  0.586870  1
  Ta  Ta163  1  0.539549  0.839370  0.640061  1
  Ta  Ta164  1  0.869943  0.504718  0.640231  1
  Ta  Ta165  1  0.926644  0.940791  0.587156  1
  Ta  Ta166  1  0.288286  0.325231  0.560177  1
  Ta  Ta167  1  0.260076  0.607402  0.586539  1
  Ta  Ta168  1  0.232197  0.890865  0.614269  1
  Ta  Ta169  1  0.593900  0.273585  0.587283  1
  Ta  Ta170  1  0.567412  0.553275  0.613015  1
  Ta  Ta171  1  0.899095  0.221168  0.612880  1
  Ta  Ta172  1  0.759706  0.106079  0.587041  1
  Ta  Ta173  1  0.093715  0.775742  0.587281  1
  Ta  Ta174  1  0.067305  1.053590  0.613251  1
  Ta  Ta175  1  0.427076  0.440080  0.586792  1
  Ta  Ta176  1  0.399442  0.722833  0.612619  1
  Ta  Ta177  1  0.371198  1.005334  0.641147  1
  Ta  Ta178  1  0.731723  0.388548  0.614250  1
  Ta  Ta179  1  0.787434  0.826426  0.560806  1
  Ta  Ta180  1  0.037755  0.338005  0.640176  1
  Ta  Ta181  1  0.480573  0.896917  0.689955  1
  Ta  Ta182  1  0.818194  0.577744  0.691010  1
  Ta  Ta183  1  0.796489  0.843332  0.713239  1
  Ta  Ta184  1  0.146507  0.244516  0.690579  1
  Ta  Ta185  1  0.127728  0.511460  0.713372  1
  Ta  Ta186  1  0.176853  0.960631  0.668897  1
  Ta  Ta187  1  0.539703  0.338629  0.640210  1
  Ta  Ta188  1  0.509056  0.623357  0.662876  1
  Ta  Ta189  1  0.845310  0.286841  0.664281  1
  Ta  Ta190  1  0.648076  0.730549  0.689853  1
  Ta  Ta191  1  -0.021279  0.410262  0.691200  1
  Ta  Ta192  1  -0.035145  0.684018  0.712979  1
  Ta  Ta193  1  0.320017  0.082190  0.691337  1
  Ta  Ta194  1  0.295860  0.350904  0.711869  1
  Ta  Ta195  1  0.344341  0.785789  0.663944  1
  Ta  Ta196  1  0.705002  0.168160  0.639689  1
  Ta  Ta197  1  0.675169  0.459336  0.668251  1
  Ta  Ta198  1  0.010655  0.122108  0.663451  1
  Ta  Ta199  1  0.461313  0.677125  0.712092  1
  Ta  Ta200  1  0.797307  0.344830  0.713061  1
  Ta  Ta201  1  0.846439  0.787468  0.664708  1
  Ta  Ta202  1  0.205552  0.170008  0.640264  1
  Ta  Ta203  1  0.179684  0.453045  0.664383  1
  Ta  Ta204  1  0.148598  0.733121  0.690372  1
  Ta  Ta205  1  0.505703  0.128376  0.666828  1
  Ta  Ta206  1  0.480858  0.411319  0.690171  1
  Ta  Ta207  1  0.817041  0.076518  0.690863  1
  Ta  Ta208  1  0.674415  0.957698  0.668527  1
  Ta  Ta209  1  0.013248  0.618076  0.664282  1
  Ta  Ta210  1  -0.019354  0.912746  0.691820  1
  Ta  Ta211  1  0.343949  0.290493  0.663149  1
  Ta  Ta212  1  0.313003  0.575100  0.690805  1
  Ta  Ta213  1  0.299002  0.844588  0.712673  1
  Ta  Ta214  1  0.652733  0.235926  0.688926  1
  Ta  Ta215  1  0.705583  0.670435  0.639734  1
  Ta  Ta216  1  -0.037869  0.185542  0.712088  1
