# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09770057
_cell_length_b   25.60950623
_cell_length_c   46.28289331
_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   11968.6231723
_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  0.968873  0.696149  0.358266  1
  Ta  Ta2  1  0.972875  0.140428  0.317335  1
  Ta  Ta3  1  0.258474  0.939345  0.326535  1
  Ta  Ta4  1  0.257815  0.377610  0.283960  1
  Ta  Ta5  1  0.321486  0.826661  0.336121  1
  Ta  Ta6  1  0.317890  0.262832  0.291883  1
  Ta  Ta7  1  0.139269  0.665793  0.303489  1
  Ta  Ta8  1  0.134910  0.230761  0.344795  1
  Ta  Ta9  1  0.871615  0.685044  0.293644  1
  Ta  Ta10  1  0.868235  0.250835  0.335224  1
  Ta  Ta11  1  0.904743  0.490931  0.307740  1
  Ta  Ta12  1  0.897875  0.051789  0.347602  1
  Ta  Ta13  1  0.822623  0.865263  0.317542  1
  Ta  Ta14  1  0.805613  0.292879  0.279914  1
  Ta  Ta15  1  0.188219  0.607685  0.359142  1
  Ta  Ta16  1  0.176069  0.043703  0.313065  1
  Ta  Ta17  1  0.741295  0.541552  0.353768  1
  Ta  Ta18  1  0.731027  0.978018  0.306582  1
  Ta  Ta19  1  0.942551  0.598554  0.324488  1
  Ta  Ta20  1  0.923380  0.054921  0.285777  1
  Ta  Ta21  1  0.405958  0.643224  0.310323  1
  Ta  Ta22  1  0.400913  0.208661  0.352676  1
  Ta  Ta23  1  0.502832  0.740830  0.340141  1
  Ta  Ta24  1  0.509831  0.183131  0.294681  1
  Ta  Ta25  1  0.535528  0.916605  0.334329  1
  Ta  Ta26  1  0.528817  0.358259  0.293361  1
  Ta  Ta27  1  0.579962  0.817406  0.300212  1
  Ta  Ta28  1  0.567196  0.386393  0.350407  1
  Ta  Ta29  1  0.042612  0.776022  0.321620  1
  Ta  Ta30  1  0.036369  0.225299  0.282143  1
  Ta  Ta31  1  0.608696  0.708066  0.287341  1
  Ta  Ta32  1  0.602583  0.271516  0.325469  1
  Ta  Ta33  1  0.320452  0.757585  0.291999  1
  Ta  Ta34  1  0.320733  0.328482  0.336691  1
  Ta  Ta35  1  0.689646  0.648689  0.341288  1
  Ta  Ta36  1  0.672759  0.082606  0.297043  1
  Ta  Ta37  1  0.994633  0.959153  0.313217  1
  Ta  Ta38  1  0.986051  0.401268  0.277418  1
  Ta  Ta39  1  0.845284  0.787921  0.277725  1
  Ta  Ta40  1  0.809443  0.370476  0.318360  1
  Ta  Ta41  1  0.683883  0.582798  0.295890  1
  Ta  Ta42  1  0.686432  0.151272  0.341037  1
  Ta  Ta43  1  0.442354  0.536761  0.288389  1
  Ta  Ta44  1  0.432857  0.098870  0.329738  1
  Ta  Ta45  1  0.193749  0.540688  0.312920  1
  Ta  Ta46  1  0.184074  0.109449  0.358952  1
  Ta  Ta47  1  0.768577  0.759199  0.332654  1
  Ta  Ta48  1  0.777744  0.184085  0.285077  1
  Ta  Ta49  1  0.379535  0.882052  0.284953  1
  Ta  Ta50  1  0.373219  0.448857  0.323083  1
  Ta  Ta51  1  0.063284  0.876522  0.351867  1
  Ta  Ta52  1  0.062117  0.318513  0.308883  1
  Ta  Ta53  1  0.636554  0.470259  0.313242  1
  Ta  Ta54  1  0.630196  0.033060  0.356332  1
  Ta  Ta55  1  0.469085  0.561183  0.345492  1
  Ta  Ta56  1  0.456004  1.002387  0.302374  1
  Ta  Ta57  1  0.242024  0.719157  0.350066  1
  Ta  Ta58  1  0.238365  0.157895  0.302196  1
  Ta  Ta59  1  0.112472  0.860560  0.291349  1
  Ta  Ta60  1  0.103938  0.426088  0.331797  1
  Ta  Ta61  1  0.965047  0.826449  0.448683  1
  Ta  Ta62  1  0.965265  0.264025  0.404416  1
  Ta  Ta63  1  0.265639  0.065104  0.416797  1
  Ta  Ta64  1  0.269345  0.500730  0.372210  1
  Ta  Ta65  1  0.317735  0.955455  0.427890  1
  Ta  Ta66  1  0.319052  0.391294  0.383667  1
  Ta  Ta67  1  0.134805  0.792412  0.390060  1
  Ta  Ta68  1  0.134761  0.356114  0.436981  1
  Ta  Ta69  1  0.871791  0.814295  0.380418  1
  Ta  Ta70  1  0.870626  0.378608  0.426871  1
  Ta  Ta71  1  0.903502  0.614829  0.394500  1
  Ta  Ta72  1  0.901012  0.180229  0.440117  1
  Ta  Ta73  1  0.817510  0.996099  0.409208  1
  Ta  Ta74  1  0.821553  0.432399  0.365270  1
  Ta  Ta75  1  0.185991  0.737018  0.451422  1
  Ta  Ta76  1  0.186384  0.173473  0.405629  1
  Ta  Ta77  1  0.739034  0.669278  0.445252  1
  Ta  Ta78  1  0.736194  0.105104  0.398613  1
  Ta  Ta79  1  0.938503  0.729846  0.417435  1
  Ta  Ta80  1  0.935761  0.169204  0.374322  1
  Ta  Ta81  1  0.402305  0.771892  0.399281  1
  Ta  Ta82  1  0.401696  0.335947  0.445506  1
  Ta  Ta83  1  0.501717  0.867027  0.430286  1
  Ta  Ta84  1  0.501552  0.303086  0.385330  1
  Ta  Ta85  1  0.537558  0.044476  0.425576  1
  Ta  Ta86  1  0.541926  0.481014  0.381882  1
  Ta  Ta87  1  0.565490  0.948636  0.393619  1
  Ta  Ta88  1  0.568911  0.512394  0.441445  1
  Ta  Ta89  1  0.038016  0.907712  0.412180  1
  Ta  Ta90  1  0.037121  0.344797  0.368283  1
  Ta  Ta91  1  0.604348  0.834351  0.370468  1
  Ta  Ta92  1  0.603713  0.397988  0.417989  1
  Ta  Ta93  1  0.317227  0.890859  0.382137  1
  Ta  Ta94  1  0.320812  0.455113  0.429557  1
  Ta  Ta95  1  0.686022  0.778519  0.432767  1
  Ta  Ta96  1  0.682364  0.214786  0.387478  1
  Ta  Ta97  1  1.001429  0.084247  0.407317  1
  Ta  Ta98  1  0.006433  0.521399  0.363377  1
  Ta  Ta99  1  0.816104  0.932987  0.362438  1
  Ta  Ta100  1  0.820271  0.496400  0.411241  1
  Ta  Ta101  1  0.686813  0.713068  0.387760  1
  Ta  Ta102  1  0.685490  0.278850  0.433625  1
  Ta  Ta103  1  0.440064  0.657411  0.376316  1
  Ta  Ta104  1  0.436082  0.222205  0.421925  1
  Ta  Ta105  1  0.187110  0.671542  0.405879  1
  Ta  Ta106  1  0.185065  0.237313  0.451825  1
  Ta  Ta107  1  0.765876  0.887649  0.421027  1
  Ta  Ta108  1  0.765937  0.323732  0.376585  1
  Ta  Ta109  1  0.367213  0.011932  0.366742  1
  Ta  Ta110  1  0.371985  0.573865  0.413843  1
  Ta  Ta111  1  0.066682  1.003427  0.443874  1
  Ta  Ta112  1  0.069370  0.440156  0.399996  1
  Ta  Ta113  1  0.636459  0.595940  0.403939  1
  Ta  Ta114  1  0.633872  0.160304  0.448681  1
  Ta  Ta115  1  0.466469  0.689397  0.436100  1
  Ta  Ta116  1  0.464485  0.126597  0.389845  1
  Ta  Ta117  1  0.237249  0.846773  0.439754  1
  Ta  Ta118  1  0.237273  0.283430  0.394785  1
  Ta  Ta119  1  0.100156  0.989751  0.375081  1
  Ta  Ta120  1  0.105159  0.553609  0.422722  1
  Ta  Ta121  1  0.965159  0.954131  0.540002  1
  Ta  Ta122  1  0.966447  0.390450  0.495820  1
  Ta  Ta123  1  0.267178  0.192705  0.508727  1
  Ta  Ta124  1  0.267802  0.628451  0.463500  1
  Ta  Ta125  1  0.319335  0.083242  0.519825  1
  Ta  Ta126  1  0.320057  0.519240  0.475399  1
  Ta  Ta127  1  0.133450  0.919749  0.481210  1
  Ta  Ta128  1  0.135271  0.483757  0.528542  1
  Ta  Ta129  1  0.869458  0.941926  0.471068  1
  Ta  Ta130  1  0.871333  0.505968  0.518442  1
  Ta  Ta131  1  0.901608  0.744064  0.485647  1
  Ta  Ta132  1  0.902081  0.308004  0.532256  1
  Ta  Ta133  1  0.819073  0.124322  0.501514  1
  Ta  Ta134  1  0.820580  0.560450  0.456851  1
  Ta  Ta135  1  0.184256  0.865534  0.542888  1
  Ta  Ta136  1  0.185938  0.301438  0.498050  1
  Ta  Ta137  1  0.737084  0.797208  0.535990  1
  Ta  Ta138  1  0.737713  0.233065  0.490824  1
  Ta  Ta139  1  0.936372  0.858072  0.508505  1
  Ta  Ta140  1  0.936702  0.294793  0.464072  1
  Ta  Ta141  1  0.400685  0.899656  0.490063  1
  Ta  Ta142  1  0.402428  0.463656  0.537523  1
  Ta  Ta143  1  0.501822  0.994741  0.521782  1
  Ta  Ta144  1  0.503089  0.430914  0.477705  1
  Ta  Ta145  1  0.539041  0.172065  0.517626  1
  Ta  Ta146  1  0.540018  0.608376  0.472602  1
  Ta  Ta147  1  0.567637  0.076138  0.485518  1
  Ta  Ta148  1  0.567686  0.639930  0.532378  1
  Ta  Ta149  1  0.038478  0.035329  0.503821  1
  Ta  Ta150  1  0.039878  0.471770  0.459704  1
  Ta  Ta151  1  0.602294  0.961972  0.462038  1
  Ta  Ta152  1  0.604044  0.526051  0.509521  1
  Ta  Ta153  1  0.318395  0.019083  0.473852  1
  Ta  Ta154  1  0.319669  0.583014  0.521062  1
  Ta  Ta155  1  0.684746  0.906412  0.524096  1
  Ta  Ta156  1  0.685543  0.342470  0.479704  1
  Ta  Ta157  1  0.002483  0.212874  0.499782  1
  Ta  Ta158  1  0.003382  0.648703  0.454203  1
  Ta  Ta159  1  0.818501  0.060394  0.455438  1
  Ta  Ta160  1  0.819726  0.624749  0.502531  1
  Ta  Ta161  1  0.685156  0.842619  0.478463  1
  Ta  Ta162  1  0.686367  0.406583  0.525720  1
  Ta  Ta163  1  0.437031  0.785719  0.467174  1
  Ta  Ta164  1  0.437197  0.349618  0.514020  1
  Ta  Ta165  1  0.185113  0.801092  0.497098  1
  Ta  Ta166  1  0.186129  0.365246  0.544177  1
  Ta  Ta167  1  0.766557  0.014979  0.512790  1
  Ta  Ta168  1  0.767736  0.451236  0.468685  1
  Ta  Ta169  1  0.369949  0.137896  0.458738  1
  Ta  Ta170  1  0.370531  0.701688  0.504788  1
  Ta  Ta171  1  0.068201  0.131001  0.535558  1
  Ta  Ta172  1  0.068512  0.567742  0.491102  1
  Ta  Ta173  1  0.634258  0.723973  0.494731  1
  Ta  Ta174  1  0.634911  0.287931  0.540822  1
  Ta  Ta175  1  0.464824  0.817359  0.526931  1
  Ta  Ta176  1  0.465866  0.253739  0.481926  1
  Ta  Ta177  1  0.237129  0.974637  0.530969  1
  Ta  Ta178  1  0.238446  0.410771  0.486790  1
  Ta  Ta179  1  0.102797  0.117718  0.467351  1
  Ta  Ta180  1  0.103227  0.681638  0.513896  1
  Ta  Ta181  1  0.969084  0.081310  0.632178  1
  Ta  Ta182  1  0.966578  0.517950  0.587393  1
  Ta  Ta183  1  0.267882  0.320594  0.601047  1
  Ta  Ta184  1  0.265865  0.756457  0.554249  1
  Ta  Ta185  1  0.322660  0.211249  0.611769  1
  Ta  Ta186  1  0.318740  0.647162  0.566742  1
  Ta  Ta187  1  0.134508  0.047350  0.572916  1
  Ta  Ta188  1  0.132894  0.611498  0.619103  1
  Ta  Ta189  1  0.870597  0.069675  0.562704  1
  Ta  Ta190  1  0.869896  0.633396  0.609449  1
  Ta  Ta191  1  0.899908  0.872122  0.576758  1
  Ta  Ta192  1  0.903625  0.435877  0.624487  1
  Ta  Ta193  1  0.819304  0.252125  0.594046  1
  Ta  Ta194  1  0.818771  0.688719  0.548150  1
  Ta  Ta195  1  0.183435  0.994049  0.635241  1
  Ta  Ta196  1  0.186944  0.429558  0.590378  1
  Ta  Ta197  1  0.736047  0.924838  0.627122  1
  Ta  Ta198  1  0.738789  0.360464  0.582834  1
  Ta  Ta199  1  0.936173  0.986212  0.599856  1
  Ta  Ta200  1  0.937958  0.422139  0.555776  1
  Ta  Ta201  1  0.401138  0.027648  0.581549  1
  Ta  Ta202  1  0.400284  0.591447  0.629022  1
  Ta  Ta203  1  0.504157  0.121633  0.613137  1
  Ta  Ta204  1  0.502932  0.558566  0.569270  1
  Ta  Ta205  1  0.539637  0.299194  0.609867  1
  Ta  Ta206  1  0.538369  0.736290  0.563394  1
  Ta  Ta207  1  0.569449  0.203783  0.577578  1
  Ta  Ta208  1  0.564827  0.768283  0.623155  1
  Ta  Ta209  1  0.040405  0.161581  0.595361  1
  Ta  Ta210  1  0.039687  0.599250  0.550896  1
  Ta  Ta211  1  0.603640  0.089627  0.553842  1
  Ta  Ta212  1  0.602408  0.653817  0.600234  1
  Ta  Ta213  1  0.319329  0.146890  0.565828  1
  Ta  Ta214  1  0.318058  0.712669  0.611730  1
  Ta  Ta215  1  0.686092  0.034079  0.615730  1
  Ta  Ta216  1  0.686746  0.470084  0.571723  1
  Ta  Ta217  1  0.002833  0.341302  0.592464  1
  Ta  Ta218  1  1.001540  0.777037  0.545313  1
  Ta  Ta219  1  0.820073  0.188502  0.547723  1
  Ta  Ta220  1  0.817773  0.754199  0.593626  1
  Ta  Ta221  1  0.684664  0.970524  0.569874  1
  Ta  Ta222  1  0.687156  0.534788  0.617401  1
  Ta  Ta223  1  0.436002  0.913419  0.558138  1
  Ta  Ta224  1  0.439287  0.476868  0.605974  1
  Ta  Ta225  1  0.185005  0.930098  0.588582  1
  Ta  Ta226  1  0.188269  0.492890  0.637035  1
  Ta  Ta227  1  0.768873  0.142272  0.604643  1
  Ta  Ta228  1  0.767381  0.578903  0.559835  1
  Ta  Ta229  1  0.370913  0.265496  0.550877  1
  Ta  Ta230  1  0.368596  0.829822  0.595533  1
  Ta  Ta231  1  0.068378  0.256333  0.625660  1
  Ta  Ta232  1  0.066378  0.695892  0.582068  1
  Ta  Ta233  1  0.633001  0.851810  0.585610  1
  Ta  Ta234  1  0.636865  0.413044  0.633098  1
  Ta  Ta235  1  0.463266  0.944932  0.617682  1
  Ta  Ta236  1  0.466872  0.381142  0.574029  1
  Ta  Ta237  1  0.239427  0.101849  0.623216  1
  Ta  Ta238  1  0.238856  0.538012  0.578540  1
  Ta  Ta239  1  0.103711  0.245470  0.559510  1
  Ta  Ta240  1  0.101642  0.810830  0.604936  1
  Ta  Ta241  1  0.972552  0.198951  0.716233  1
  Ta  Ta242  1  0.962178  0.649836  0.677913  1
  Ta  Ta243  1  0.273263  0.449127  0.692957  1
  Ta  Ta244  1  0.264291  0.884225  0.645569  1
  Ta  Ta245  1  0.331163  0.344792  0.701988  1
  Ta  Ta246  1  0.315520  0.777076  0.658200  1
  Ta  Ta247  1  0.137064  0.174695  0.664660  1
  Ta  Ta248  1  0.133509  0.740867  0.705883  1
  Ta  Ta249  1  0.871200  0.193138  0.655427  1
  Ta  Ta250  1  0.865922  0.760024  0.695998  1
  Ta  Ta251  1  0.900723  0.999229  0.667435  1
  Ta  Ta252  1  0.891902  0.565312  0.708150  1
  Ta  Ta253  1  0.826904  0.381881  0.686587  1
  Ta  Ta254  1  0.816726  0.817951  0.640345  1
  Ta  Ta255  1  0.240157  0.142480  0.717846  1
  Ta  Ta256  1  0.181743  0.560731  0.681909  1
  Ta  Ta257  1  0.736726  0.049625  0.713945  1
  Ta  Ta258  1  0.745743  0.486412  0.672911  1
  Ta  Ta259  1  0.949615  0.103071  0.692918  1
  Ta  Ta260  1  0.940964  0.549398  0.647605  1
  Ta  Ta261  1  0.406208  0.153505  0.670935  1
  Ta  Ta262  1  0.396344  0.717816  0.712151  1
  Ta  Ta263  1  0.485032  0.235958  0.705292  1
  Ta  Ta264  1  0.501970  0.684934  0.659368  1
  Ta  Ta265  1  0.548432  0.423054  0.696885  1
  Ta  Ta266  1  0.536333  0.864529  0.653930  1
  Ta  Ta267  1  0.569284  0.324882  0.670606  1
  Ta  Ta268  1  0.563714  0.888933  0.711007  1
  Ta  Ta269  1  0.025673  0.286662  0.682286  1
  Ta  Ta270  1  0.035963  0.729620  0.641220  1
  Ta  Ta271  1  0.606296  0.217120  0.646596  1
  Ta  Ta272  1  0.599279  0.782586  0.689168  1
  Ta  Ta273  1  0.317013  0.274137  0.658617  1
  Ta  Ta274  1  0.321364  0.843278  0.703474  1
  Ta  Ta275  1  0.688887  0.160844  0.707833  1
  Ta  Ta276  1  0.683147  0.599131  0.663387  1
  Ta  Ta277  1  0.009067  0.466856  0.686114  1
  Ta  Ta278  1  0.998753  0.904045  0.635703  1
  Ta  Ta279  1  0.818510  0.315962  0.640820  1
  Ta  Ta280  1  0.812567  0.885218  0.686414  1
  Ta  Ta281  1  0.689173  0.097749  0.662036  1
  Ta  Ta282  1  0.684233  0.668215  0.707514  1
  Ta  Ta283  1  0.438134  0.039635  0.649417  1
  Ta  Ta284  1  0.424598  0.608375  0.699296  1
  Ta  Ta285  1  0.195555  0.056392  0.682883  1
  Ta  Ta286  1  0.159420  0.637976  0.721792  1
  Ta  Ta287  1  0.761442  0.265235  0.697513  1
  Ta  Ta288  1  0.762785  0.706598  0.649462  1
  Ta  Ta289  1  0.374089  0.392550  0.643339  1
  Ta  Ta290  1  0.369259  0.955548  0.686305  1
  Ta  Ta291  1  0.080732  0.372560  0.713869  1
  Ta  Ta292  1  0.062747  0.827207  0.674894  1
  Ta  Ta293  1  0.632254  0.976631  0.676099  1
  Ta  Ta294  1  0.624901  0.543658  0.714526  1
  Ta  Ta295  1  0.472863  0.069406  0.706315  1
  Ta  Ta296  1  0.469366  0.509273  0.665112  1
  Ta  Ta297  1  0.222077  0.247564  0.715179  1
  Ta  Ta298  1  0.236220  0.666696  0.666860  1
  Ta  Ta299  1  0.105993  0.374158  0.651899  1
  Ta  Ta300  1  0.102672  0.934162  0.689815  1
