# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09769623
_cell_length_b   25.60951100
_cell_length_c   46.28297863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11968.6423317
_cell_formula_units_Z   300
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  0.010268  0.959153  0.313216  1
  Ta  Ta2  1  0.018850  0.401268  0.277418  1
  Ta  Ta3  1  0.502069  0.740830  0.340140  1
  Ta  Ta4  1  0.495070  0.183131  0.294680  1
  Ta  Ta5  1  0.263606  0.541552  0.353767  1
  Ta  Ta6  1  0.273874  0.978018  0.306581  1
  Ta  Ta7  1  0.562547  0.536761  0.288389  1
  Ta  Ta8  1  0.572043  0.098870  0.329737  1
  Ta  Ta9  1  0.424939  0.817406  0.300211  1
  Ta  Ta10  1  0.437705  0.386393  0.350406  1
  Ta  Ta11  1  0.746427  0.939345  0.326534  1
  Ta  Ta12  1  0.747086  0.377610  0.283959  1
  Ta  Ta13  1  0.762877  0.719157  0.350066  1
  Ta  Ta14  1  0.766536  0.157894  0.302195  1
  Ta  Ta15  1  0.236323  0.759199  0.332653  1
  Ta  Ta16  1  0.227157  0.184085  0.285076  1
  Ta  Ta17  1  0.941617  0.876522  0.351866  1
  Ta  Ta18  1  0.942784  0.318513  0.308882  1
  Ta  Ta19  1  0.062350  0.598554  0.324488  1
  Ta  Ta20  1  0.081520  0.054921  0.285777  1
  Ta  Ta21  1  0.535816  0.561183  0.345492  1
  Ta  Ta22  1  0.548897  1.002387  0.302374  1
  Ta  Ta23  1  0.625366  0.882052  0.284953  1
  Ta  Ta24  1  0.631682  0.448857  0.323083  1
  Ta  Ta25  1  0.368347  0.470259  0.313241  1
  Ta  Ta26  1  0.374705  0.033060  0.356331  1
  Ta  Ta27  1  0.469372  0.916605  0.334328  1
  Ta  Ta28  1  0.476084  0.358259  0.293360  1
  Ta  Ta29  1  0.036028  0.696149  0.358265  1
  Ta  Ta30  1  0.032026  0.140428  0.317335  1
  Ta  Ta31  1  0.962289  0.776022  0.321619  1
  Ta  Ta32  1  0.968532  0.225299  0.282142  1
  Ta  Ta33  1  0.865631  0.665793  0.303489  1
  Ta  Ta34  1  0.869991  0.230761  0.344794  1
  Ta  Ta35  1  0.133286  0.685044  0.293643  1
  Ta  Ta36  1  0.136666  0.250835  0.335224  1
  Ta  Ta37  1  0.100157  0.490931  0.307739  1
  Ta  Ta38  1  0.107025  0.051788  0.347601  1
  Ta  Ta39  1  0.598942  0.643223  0.310322  1
  Ta  Ta40  1  0.603987  0.208661  0.352675  1
  Ta  Ta41  1  0.396205  0.708066  0.287340  1
  Ta  Ta42  1  0.402318  0.271516  0.325468  1
  Ta  Ta43  1  0.892429  0.860560  0.291348  1
  Ta  Ta44  1  0.900963  0.426088  0.331797  1
  Ta  Ta45  1  0.321018  0.582798  0.295889  1
  Ta  Ta46  1  0.318469  0.151272  0.341037  1
  Ta  Ta47  1  0.811152  0.540688  0.312920  1
  Ta  Ta48  1  0.820827  0.109449  0.358951  1
  Ta  Ta49  1  0.182278  0.865263  0.317541  1
  Ta  Ta50  1  0.199288  0.292879  0.279914  1
  Ta  Ta51  1  0.683415  0.826661  0.336120  1
  Ta  Ta52  1  0.687011  0.262832  0.291882  1
  Ta  Ta53  1  0.816681  0.607685  0.359141  1
  Ta  Ta54  1  0.828832  0.043703  0.313065  1
  Ta  Ta55  1  0.684449  0.757585  0.291998  1
  Ta  Ta56  1  0.684168  0.328482  0.336691  1
  Ta  Ta57  1  0.315254  0.648689  0.341287  1
  Ta  Ta58  1  0.332141  0.082606  0.297043  1
  Ta  Ta59  1  0.159617  0.787921  0.277724  1
  Ta  Ta60  1  0.195458  0.370476  0.318359  1
  Ta  Ta61  1  0.003472  0.084247  0.407316  1
  Ta  Ta62  1  0.998468  0.521399  0.363376  1
  Ta  Ta63  1  0.503183  0.867027  0.430285  1
  Ta  Ta64  1  0.503349  0.303086  0.385329  1
  Ta  Ta65  1  0.265867  0.669278  0.445252  1
  Ta  Ta66  1  0.268707  0.105104  0.398613  1
  Ta  Ta67  1  0.564837  0.657411  0.376315  1
  Ta  Ta68  1  0.568818  0.222205  0.421924  1
  Ta  Ta69  1  0.439411  0.948636  0.393618  1
  Ta  Ta70  1  0.435990  0.512393  0.441444  1
  Ta  Ta71  1  0.739262  0.065104  0.416796  1
  Ta  Ta72  1  0.735556  0.500730  0.372209  1
  Ta  Ta73  1  0.767651  0.846773  0.439754  1
  Ta  Ta74  1  0.767628  0.283430  0.394784  1
  Ta  Ta75  1  0.239024  0.887649  0.421026  1
  Ta  Ta76  1  0.238963  0.323732  0.376585  1
  Ta  Ta77  1  0.938219  1.003427  0.443874  1
  Ta  Ta78  1  0.935531  0.440156  0.399995  1
  Ta  Ta79  1  0.066398  0.729845  0.417435  1
  Ta  Ta80  1  0.069139  0.169204  0.374321  1
  Ta  Ta81  1  0.538432  0.689397  0.436100  1
  Ta  Ta82  1  0.540416  0.126597  0.389844  1
  Ta  Ta83  1  0.637688  0.011932  0.366742  1
  Ta  Ta84  1  0.632916  0.573865  0.413842  1
  Ta  Ta85  1  0.368442  0.595940  0.403938  1
  Ta  Ta86  1  0.371029  0.160304  0.448680  1
  Ta  Ta87  1  0.467342  0.044476  0.425576  1
  Ta  Ta88  1  0.462974  0.481014  0.381881  1
  Ta  Ta89  1  0.039854  0.826449  0.448682  1
  Ta  Ta90  1  0.039636  0.264025  0.404415  1
  Ta  Ta91  1  0.966885  0.907712  0.412179  1
  Ta  Ta92  1  0.967780  0.344797  0.368282  1
  Ta  Ta93  1  0.870096  0.792412  0.390060  1
  Ta  Ta94  1  0.870140  0.356114  0.436981  1
  Ta  Ta95  1  0.133110  0.814294  0.380417  1
  Ta  Ta96  1  0.134275  0.378608  0.426870  1
  Ta  Ta97  1  0.101398  0.614829  0.394499  1
  Ta  Ta98  1  0.103889  0.180229  0.440116  1
  Ta  Ta99  1  0.602596  0.771892  0.399280  1
  Ta  Ta100  1  0.603205  0.335946  0.445505  1
  Ta  Ta101  1  0.400553  0.834351  0.370468  1
  Ta  Ta102  1  0.401188  0.397988  0.417988  1
  Ta  Ta103  1  0.904745  0.989751  0.375080  1
  Ta  Ta104  1  0.899742  0.553609  0.422721  1
  Ta  Ta105  1  0.318088  0.713068  0.387759  1
  Ta  Ta106  1  0.319411  0.278850  0.433625  1
  Ta  Ta107  1  0.817791  0.671542  0.405878  1
  Ta  Ta108  1  0.819836  0.237313  0.451824  1
  Ta  Ta109  1  0.187391  0.996099  0.409208  1
  Ta  Ta110  1  0.183348  0.432399  0.365269  1
  Ta  Ta111  1  0.687166  0.955455  0.427889  1
  Ta  Ta112  1  0.685849  0.391294  0.383666  1
  Ta  Ta113  1  0.818909  0.737018  0.451421  1
  Ta  Ta114  1  0.818517  0.173472  0.405629  1
  Ta  Ta115  1  0.687674  0.890859  0.382136  1
  Ta  Ta116  1  0.684089  0.455112  0.429556  1
  Ta  Ta117  1  0.318879  0.778519  0.432766  1
  Ta  Ta118  1  0.322537  0.214786  0.387477  1
  Ta  Ta119  1  0.188797  0.932987  0.362437  1
  Ta  Ta120  1  0.184630  0.496400  0.411240  1
  Ta  Ta121  1  1.002418  0.212874  0.499781  1
  Ta  Ta122  1  1.001518  0.648703  0.454202  1
  Ta  Ta123  1  0.503079  0.994741  0.521781  1
  Ta  Ta124  1  0.501812  0.430914  0.477704  1
  Ta  Ta125  1  0.267817  0.797208  0.535989  1
  Ta  Ta126  1  0.267188  0.233065  0.490823  1
  Ta  Ta127  1  0.567869  0.785719  0.467173  1
  Ta  Ta128  1  0.567704  0.349618  0.514019  1
  Ta  Ta129  1  0.437264  0.076138  0.485518  1
  Ta  Ta130  1  0.437214  0.639930  0.532377  1
  Ta  Ta131  1  0.737722  0.192704  0.508726  1
  Ta  Ta132  1  0.737099  0.628451  0.463499  1
  Ta  Ta133  1  0.767772  0.974637  0.530968  1
  Ta  Ta134  1  0.766454  0.410771  0.486789  1
  Ta  Ta135  1  0.238344  0.014979  0.512789  1
  Ta  Ta136  1  0.237165  0.451236  0.468684  1
  Ta  Ta137  1  0.936700  0.131001  0.535557  1
  Ta  Ta138  1  0.936389  0.567742  0.491102  1
  Ta  Ta139  1  0.068529  0.858072  0.508505  1
  Ta  Ta140  1  0.068199  0.294793  0.464071  1
  Ta  Ta141  1  0.540077  0.817359  0.526930  1
  Ta  Ta142  1  0.539035  0.253738  0.481925  1
  Ta  Ta143  1  0.634952  0.137895  0.458737  1
  Ta  Ta144  1  0.634370  0.701688  0.504787  1
  Ta  Ta145  1  0.370643  0.723973  0.494730  1
  Ta  Ta146  1  0.369990  0.287931  0.540821  1
  Ta  Ta147  1  0.465860  0.172065  0.517625  1
  Ta  Ta148  1  0.464883  0.608376  0.472601  1
  Ta  Ta149  1  0.039742  0.954131  0.540001  1
  Ta  Ta150  1  0.038454  0.390450  0.495819  1
  Ta  Ta151  1  0.966423  0.035328  0.503820  1
  Ta  Ta152  1  0.965023  0.471770  0.459703  1
  Ta  Ta153  1  0.871451  0.919749  0.481209  1
  Ta  Ta154  1  0.869630  0.483757  0.528541  1
  Ta  Ta155  1  0.135443  0.941926  0.471067  1
  Ta  Ta156  1  0.133568  0.505968  0.518441  1
  Ta  Ta157  1  0.103293  0.744064  0.485646  1
  Ta  Ta158  1  0.102820  0.308004  0.532255  1
  Ta  Ta159  1  0.604215  0.899655  0.490062  1
  Ta  Ta160  1  0.602473  0.463656  0.537522  1
  Ta  Ta161  1  0.402607  0.961972  0.462037  1
  Ta  Ta162  1  0.400857  0.526051  0.509521  1
  Ta  Ta163  1  0.902104  0.117718  0.467350  1
  Ta  Ta164  1  0.901674  0.681638  0.513895  1
  Ta  Ta165  1  0.319745  0.842619  0.478463  1
  Ta  Ta166  1  0.318533  0.406583  0.525719  1
  Ta  Ta167  1  0.819788  0.801092  0.497097  1
  Ta  Ta168  1  0.818771  0.365246  0.544176  1
  Ta  Ta169  1  0.185828  0.124321  0.501513  1
  Ta  Ta170  1  0.184321  0.560450  0.456850  1
  Ta  Ta171  1  0.685566  0.083242  0.519824  1
  Ta  Ta172  1  0.684843  0.519240  0.475399  1
  Ta  Ta173  1  0.820644  0.865534  0.542887  1
  Ta  Ta174  1  0.818963  0.301437  0.498049  1
  Ta  Ta175  1  0.686505  0.019083  0.473851  1
  Ta  Ta176  1  0.685231  0.583014  0.521061  1
  Ta  Ta177  1  0.320155  0.906412  0.524095  1
  Ta  Ta178  1  0.319358  0.342470  0.479704  1
  Ta  Ta179  1  0.186400  0.060394  0.455437  1
  Ta  Ta180  1  0.185174  0.624749  0.502530  1
  Ta  Ta181  1  1.002068  0.341302  0.592463  1
  Ta  Ta182  1  0.003361  0.777037  0.545312  1
  Ta  Ta183  1  0.500744  0.121633  0.613136  1
  Ta  Ta184  1  0.501969  0.558566  0.569269  1
  Ta  Ta185  1  0.268854  0.924838  0.627121  1
  Ta  Ta186  1  0.266112  0.360464  0.582833  1
  Ta  Ta187  1  0.568899  0.913419  0.558137  1
  Ta  Ta188  1  0.565614  0.476868  0.605972  1
  Ta  Ta189  1  0.435452  0.203783  0.577577  1
  Ta  Ta190  1  0.440074  0.768283  0.623154  1
  Ta  Ta191  1  0.737018  0.320594  0.601046  1
  Ta  Ta192  1  0.739036  0.756457  0.554248  1
  Ta  Ta193  1  0.765473  0.101849  0.623215  1
  Ta  Ta194  1  0.766045  0.538012  0.578539  1
  Ta  Ta195  1  0.236028  0.142272  0.604642  1
  Ta  Ta196  1  0.237520  0.578903  0.559834  1
  Ta  Ta197  1  0.936523  0.256333  0.625659  1
  Ta  Ta198  1  0.938523  0.695892  0.582067  1
  Ta  Ta199  1  0.068728  0.986212  0.599855  1
  Ta  Ta200  1  0.066942  0.422139  0.555775  1
  Ta  Ta201  1  0.541634  0.944932  0.617681  1
  Ta  Ta202  1  0.538029  0.381142  0.574028  1
  Ta  Ta203  1  0.633987  0.265496  0.550876  1
  Ta  Ta204  1  0.636305  0.829822  0.595532  1
  Ta  Ta205  1  0.371900  0.851809  0.585609  1
  Ta  Ta206  1  0.368035  0.413044  0.633097  1
  Ta  Ta207  1  0.465264  0.299194  0.609866  1
  Ta  Ta208  1  0.466532  0.736290  0.563393  1
  Ta  Ta209  1  0.035817  0.081309  0.632177  1
  Ta  Ta210  1  0.038323  0.517950  0.587392  1
  Ta  Ta211  1  0.964496  0.161581  0.595360  1
  Ta  Ta212  1  0.965214  0.599250  0.550895  1
  Ta  Ta213  1  0.870393  0.047350  0.572914  1
  Ta  Ta214  1  0.872007  0.611498  0.619102  1
  Ta  Ta215  1  0.134303  0.069675  0.562703  1
  Ta  Ta216  1  0.135005  0.633396  0.609448  1
  Ta  Ta217  1  0.104993  0.872122  0.576757  1
  Ta  Ta218  1  0.101275  0.435877  0.624485  1
  Ta  Ta219  1  0.603763  0.027648  0.581547  1
  Ta  Ta220  1  0.604616  0.591446  0.629021  1
  Ta  Ta221  1  0.401261  0.089627  0.553841  1
  Ta  Ta222  1  0.402492  0.653817  0.600233  1
  Ta  Ta223  1  0.901190  0.245470  0.559509  1
  Ta  Ta224  1  0.903259  0.810830  0.604934  1
  Ta  Ta225  1  0.320237  0.970524  0.569873  1
  Ta  Ta226  1  0.317745  0.534788  0.617400  1
  Ta  Ta227  1  0.819896  0.930098  0.588581  1
  Ta  Ta228  1  0.816632  0.492890  0.637034  1
  Ta  Ta229  1  0.185597  0.252125  0.594045  1
  Ta  Ta230  1  0.186130  0.688719  0.548149  1
  Ta  Ta231  1  0.682240  0.211249  0.611768  1
  Ta  Ta232  1  0.686161  0.647162  0.566741  1
  Ta  Ta233  1  0.821466  0.994049  0.635239  1
  Ta  Ta234  1  0.817957  0.429558  0.590377  1
  Ta  Ta235  1  0.685572  0.146890  0.565827  1
  Ta  Ta236  1  0.686843  0.712669  0.611729  1
  Ta  Ta237  1  0.318809  0.034079  0.615729  1
  Ta  Ta238  1  0.318155  0.470084  0.571722  1
  Ta  Ta239  1  0.184828  0.188502  0.547722  1
  Ta  Ta240  1  0.187128  0.754199  0.593625  1
  Ta  Ta241  1  0.995834  0.466856  0.686113  1
  Ta  Ta242  1  0.006148  0.904045  0.635702  1
  Ta  Ta243  1  0.519868  0.235958  0.705291  1
  Ta  Ta244  1  0.502931  0.684934  0.659366  1
  Ta  Ta245  1  0.268175  0.049625  0.713944  1
  Ta  Ta246  1  0.259158  0.486412  0.672910  1
  Ta  Ta247  1  0.566767  0.039635  0.649416  1
  Ta  Ta248  1  0.580303  0.608375  0.699295  1
  Ta  Ta249  1  0.435617  0.324882  0.670605  1
  Ta  Ta250  1  0.441187  0.888933  0.711005  1
  Ta  Ta251  1  0.731638  0.449127  0.692956  1
  Ta  Ta252  1  0.740610  0.884225  0.645567  1
  Ta  Ta253  1  0.782824  0.247564  0.715178  1
  Ta  Ta254  1  0.768681  0.666696  0.666858  1
  Ta  Ta255  1  0.243459  0.265235  0.697512  1
  Ta  Ta256  1  0.242116  0.706597  0.649460  1
  Ta  Ta257  1  0.924169  0.372560  0.713868  1
  Ta  Ta258  1  0.942154  0.827207  0.674893  1
  Ta  Ta259  1  0.055286  0.103071  0.692917  1
  Ta  Ta260  1  0.063936  0.549398  0.647604  1
  Ta  Ta261  1  0.532038  0.069405  0.706314  1
  Ta  Ta262  1  0.535535  0.509273  0.665111  1
  Ta  Ta263  1  0.630812  0.392550  0.643338  1
  Ta  Ta264  1  0.635641  0.955547  0.686304  1
  Ta  Ta265  1  0.372647  0.976631  0.676098  1
  Ta  Ta266  1  0.380000  0.543658  0.714524  1
  Ta  Ta267  1  0.456469  0.423053  0.696884  1
  Ta  Ta268  1  0.468568  0.864529  0.653928  1
  Ta  Ta269  1  0.032349  0.198951  0.716231  1
  Ta  Ta270  1  0.042723  0.649836  0.677912  1
  Ta  Ta271  1  0.979228  0.286662  0.682284  1
  Ta  Ta272  1  0.968937  0.729620  0.641219  1
  Ta  Ta273  1  0.867837  0.174695  0.664659  1
  Ta  Ta274  1  0.871392  0.740867  0.705882  1
  Ta  Ta275  1  0.133701  0.193138  0.655426  1
  Ta  Ta276  1  0.138979  0.760023  0.695997  1
  Ta  Ta277  1  0.104178  0.999229  0.667434  1
  Ta  Ta278  1  0.112999  0.565312  0.708149  1
  Ta  Ta279  1  0.598693  0.153504  0.670933  1
  Ta  Ta280  1  0.608557  0.717816  0.712149  1
  Ta  Ta281  1  0.398605  0.217120  0.646594  1
  Ta  Ta282  1  0.405622  0.782586  0.689167  1
  Ta  Ta283  1  0.898908  0.374158  0.651898  1
  Ta  Ta284  1  0.902229  0.934162  0.689814  1
  Ta  Ta285  1  0.315728  0.097749  0.662034  1
  Ta  Ta286  1  0.320668  0.668215  0.707513  1
  Ta  Ta287  1  0.809346  0.056392  0.682882  1
  Ta  Ta288  1  0.845481  0.637976  0.721790  1
  Ta  Ta289  1  0.177997  0.381881  0.686585  1
  Ta  Ta290  1  0.188175  0.817951  0.640344  1
  Ta  Ta291  1  0.673738  0.344792  0.701987  1
  Ta  Ta292  1  0.689381  0.777076  0.658198  1
  Ta  Ta293  1  0.764744  0.142480  0.717845  1
  Ta  Ta294  1  0.823158  0.560731  0.681908  1
  Ta  Ta295  1  0.687888  0.274136  0.658616  1
  Ta  Ta296  1  0.683537  0.843277  0.703473  1
  Ta  Ta297  1  0.316014  0.160844  0.707832  1
  Ta  Ta298  1  0.321754  0.599131  0.663385  1
  Ta  Ta299  1  0.186391  0.315962  0.640819  1
  Ta  Ta300  1  0.192334  0.885217  0.686413  1
