# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.50755135
_cell_length_b   11.33082294
_cell_length_c   50.49765178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.68948803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11827.1572007
_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  0.825083  0.203383  0.288747  1
  Ta  Ta2  1  0.296935  0.826612  0.329178  1
  Ta  Ta3  1  0.441202  0.269675  0.336352  1
  Ta  Ta4  1  0.972022  0.620521  0.289963  1
  Ta  Ta5  1  0.469258  0.991858  0.338469  1
  Ta  Ta6  1  1.000147  0.351404  0.295819  1
  Ta  Ta7  1  0.401669  0.714045  0.287598  1
  Ta  Ta8  1  0.880406  0.336658  0.328801  1
  Ta  Ta9  1  0.758356  0.482872  0.311195  1
  Ta  Ta10  1  0.236220  0.110599  0.353699  1
  Ta  Ta11  1  0.780155  0.023718  0.307918  1
  Ta  Ta12  1  0.250977  0.650700  0.348288  1
  Ta  Ta13  1  0.713342  0.903333  0.348291  1
  Ta  Ta14  1  0.242142  0.260160  0.304399  1
  Ta  Ta15  1  0.403341  0.543026  0.331970  1
  Ta  Ta16  1  0.928045  0.906016  0.288528  1
  Ta  Ta17  1  0.674547  0.186838  0.345833  1
  Ta  Ta18  1  0.195873  0.538266  0.298561  1
  Ta  Ta19  1  0.776494  0.259351  0.337754  1
  Ta  Ta20  1  0.302383  0.634264  0.292343  1
  Ta  Ta21  1  0.527690  0.561754  0.304056  1
  Ta  Ta22  1  0.005002  0.185694  0.345068  1
  Ta  Ta23  1  0.556982  0.726320  0.340828  1
  Ta  Ta24  1  0.087702  0.101618  0.294847  1
  Ta  Ta25  1  0.568908  0.114028  0.354097  1
  Ta  Ta26  1  0.088551  0.502478  0.316261  1
  Ta  Ta27  1  0.604290  0.888977  0.318230  1
  Ta  Ta28  1  0.123576  0.330583  0.279981  1
  Ta  Ta29  1  0.347885  0.992075  0.310543  1
  Ta  Ta30  1  0.818488  0.619969  0.352331  1
  Ta  Ta31  1  0.633956  0.635737  0.296619  1
  Ta  Ta32  1  0.114213  0.261502  0.335758  1
  Ta  Ta33  1  0.491353  0.857775  0.293177  1
  Ta  Ta34  1  0.967124  0.493025  0.338686  1
  Ta  Ta35  1  0.647055  0.456058  0.342443  1
  Ta  Ta36  1  0.175311  0.809384  0.298888  1
  Ta  Ta37  1  0.320498  0.410194  0.316167  1
  Ta  Ta38  1  0.840119  0.798779  0.277381  1
  Ta  Ta39  1  0.740342  0.765080  0.303416  1
  Ta  Ta40  1  0.211698  0.405539  0.348313  1
  Ta  Ta41  1  0.676685  0.320546  0.297493  1
  Ta  Ta42  1  0.148851  0.957534  0.341785  1
  Ta  Ta43  1  0.513141  0.552104  0.361161  1
  Ta  Ta44  1  0.038612  0.934193  0.315850  1
  Ta  Ta45  1  0.437866  0.405724  0.287992  1
  Ta  Ta46  1  0.904627  0.043335  0.332325  1
  Ta  Ta47  1  0.685439  0.676240  0.346398  1
  Ta  Ta48  1  0.214062  0.043080  0.300611  1
  Ta  Ta49  1  0.520843  0.119302  0.297839  1
  Ta  Ta50  1  0.993658  0.749679  0.337906  1
  Ta  Ta51  1  0.338908  0.192995  0.344853  1
  Ta  Ta52  1  0.867097  0.551439  0.299059  1
  Ta  Ta53  1  0.652080  0.068687  0.302601  1
  Ta  Ta54  1  0.121039  0.703779  0.343317  1
  Ta  Ta55  1  0.550119  0.330410  0.326442  1
  Ta  Ta56  1  0.069935  0.714336  0.287023  1
  Ta  Ta57  1  0.429999  0.773580  0.336106  1
  Ta  Ta58  1  0.953766  0.155348  0.291465  1
  Ta  Ta59  1  0.393527  0.168782  0.293458  1
  Ta  Ta60  1  0.865526  0.789983  0.331582  1
  Ta  Ta61  1  0.771682  0.456050  0.374244  1
  Ta  Ta62  1  0.246425  0.083033  0.419642  1
  Ta  Ta63  1  0.390413  0.519747  0.427417  1
  Ta  Ta64  1  0.916290  0.891913  0.381570  1
  Ta  Ta65  1  0.416896  0.248111  0.430239  1
  Ta  Ta66  1  0.941784  0.620850  0.384622  1
  Ta  Ta67  1  0.354774  0.965073  0.373132  1
  Ta  Ta68  1  0.829184  0.592514  0.418717  1
  Ta  Ta69  1  0.710009  0.740031  0.400075  1
  Ta  Ta70  1  0.184555  0.368333  0.446041  1
  Ta  Ta71  1  0.725700  0.282012  0.395509  1
  Ta  Ta72  1  0.200263  0.910096  0.440890  1
  Ta  Ta73  1  0.661136  0.161771  0.440579  1
  Ta  Ta74  1  0.187586  0.533828  0.394674  1
  Ta  Ta75  1  0.352551  0.798225  0.424024  1
  Ta  Ta76  1  0.878648  0.170104  0.378482  1
  Ta  Ta77  1  0.623132  0.440618  0.437298  1
  Ta  Ta78  1  0.148847  0.812747  0.390835  1
  Ta  Ta79  1  0.725985  0.514252  0.428442  1
  Ta  Ta80  1  0.251526  0.885970  0.381945  1
  Ta  Ta81  1  0.478032  0.813707  0.391481  1
  Ta  Ta82  1  0.952326  0.441871  0.437173  1
  Ta  Ta83  1  0.506968  0.980244  0.432350  1
  Ta  Ta84  1  0.032685  0.352234  0.386152  1
  Ta  Ta85  1  0.516734  0.370922  0.445887  1
  Ta  Ta86  1  0.042012  0.746358  0.400595  1
  Ta  Ta87  1  0.551790  0.150632  0.411363  1
  Ta  Ta88  1  0.076269  0.528663  0.368359  1
  Ta  Ta89  1  0.293116  0.249642  0.399002  1
  Ta  Ta90  1  0.767360  0.877405  0.444918  1
  Ta  Ta91  1  0.587294  0.890451  0.381486  1
  Ta  Ta92  1  0.061355  0.519657  0.427927  1
  Ta  Ta93  1  0.442843  0.120059  0.384309  1
  Ta  Ta94  1  0.916604  0.748523  0.430284  1
  Ta  Ta95  1  0.596857  0.712506  0.434446  1
  Ta  Ta96  1  0.122906  0.084164  0.388195  1
  Ta  Ta97  1  0.269582  0.666397  0.409137  1
  Ta  Ta98  1  0.795281  0.037356  0.363236  1
  Ta  Ta99  1  0.686705  0.033173  0.394702  1
  Ta  Ta100  1  0.161190  0.662909  0.440695  1
  Ta  Ta101  1  0.622350  0.584459  0.388727  1
  Ta  Ta102  1  0.097083  0.212508  0.434416  1
  Ta  Ta103  1  0.462119  0.809608  0.453242  1
  Ta  Ta104  1  0.988010  0.182169  0.407342  1
  Ta  Ta105  1  0.377936  0.668932  0.378137  1
  Ta  Ta106  1  0.852907  0.298251  0.424118  1
  Ta  Ta107  1  0.634711  0.931418  0.438132  1
  Ta  Ta108  1  0.160558  0.303420  0.392225  1
  Ta  Ta109  1  0.469205  0.374373  0.383759  1
  Ta  Ta110  1  0.943667  1.003028  0.429714  1
  Ta  Ta111  1  0.287632  0.446666  0.436266  1
  Ta  Ta112  1  0.813223  0.817937  0.390362  1
  Ta  Ta113  1  0.595689  0.329908  0.389174  1
  Ta  Ta114  1  0.070331  0.958570  0.434977  1
  Ta  Ta115  1  0.496922  0.589169  0.418797  1
  Ta  Ta116  1  0.022804  0.962756  0.372616  1
  Ta  Ta117  1  0.379178  0.029050  0.426559  1
  Ta  Ta118  1  0.904653  0.402058  0.380627  1
  Ta  Ta119  1  0.338815  0.422998  0.377375  1
  Ta  Ta120  1  0.813636  0.050257  0.423680  1
  Ta  Ta121  1  0.720749  0.711172  0.465625  1
  Ta  Ta122  1  0.195149  0.339185  0.511451  1
  Ta  Ta123  1  0.339304  0.775871  0.519209  1
  Ta  Ta124  1  0.865026  0.147837  0.473398  1
  Ta  Ta125  1  0.365581  0.504250  0.521967  1
  Ta  Ta126  1  0.891226  0.876299  0.476173  1
  Ta  Ta127  1  0.303743  0.220340  0.464448  1
  Ta  Ta128  1  0.778086  0.848463  0.510383  1
  Ta  Ta129  1  0.658851  0.996308  0.491872  1
  Ta  Ta130  1  0.133201  0.624443  0.537781  1
  Ta  Ta131  1  0.674533  0.538197  0.486916  1
  Ta  Ta132  1  0.149030  0.166148  0.532798  1
  Ta  Ta133  1  0.609827  0.418254  0.532292  1
  Ta  Ta134  1  0.135558  0.790448  0.486501  1
  Ta  Ta135  1  0.301398  0.054321  0.515722  1
  Ta  Ta136  1  0.827100  0.426568  0.469970  1
  Ta  Ta137  1  0.571904  0.697005  0.528867  1
  Ta  Ta138  1  0.097652  0.068924  0.483025  1
  Ta  Ta139  1  0.674885  0.770298  0.520018  1
  Ta  Ta140  1  0.200589  0.142000  0.474115  1
  Ta  Ta141  1  0.426739  0.069646  0.482902  1
  Ta  Ta142  1  0.901105  0.697889  0.528846  1
  Ta  Ta143  1  0.455693  0.236205  0.523964  1
  Ta  Ta144  1  0.981272  0.608598  0.478278  1
  Ta  Ta145  1  0.465459  0.627210  0.537605  1
  Ta  Ta146  1  0.991248  0.999387  0.491803  1
  Ta  Ta147  1  0.500379  0.406985  0.503122  1
  Ta  Ta148  1  0.026026  0.779605  0.457488  1
  Ta  Ta149  1  0.241797  0.505608  0.490774  1
  Ta  Ta150  1  0.716187  0.133577  0.536632  1
  Ta  Ta151  1  0.535842  0.146837  0.473402  1
  Ta  Ta152  1  0.010210  0.775121  0.519337  1
  Ta  Ta153  1  0.391202  0.376006  0.475974  1
  Ta  Ta154  1  0.865660  1.003962  0.521895  1
  Ta  Ta155  1  0.545739  0.968492  0.526089  1
  Ta  Ta156  1  0.071374  0.340569  0.480269  1
  Ta  Ta157  1  0.218475  0.922388  0.501115  1
  Ta  Ta158  1  0.744084  0.294257  0.455345  1
  Ta  Ta159  1  0.635354  0.290388  0.486543  1
  Ta  Ta160  1  0.109838  0.918708  0.532465  1
  Ta  Ta161  1  0.571283  0.840782  0.480361  1
  Ta  Ta162  1  0.045742  0.468764  0.526261  1
  Ta  Ta163  1  0.410943  0.065179  0.544724  1
  Ta  Ta164  1  0.936574  0.437803  0.499124  1
  Ta  Ta165  1  0.327109  0.926039  0.469769  1
  Ta  Ta166  1  0.801579  0.554383  0.515709  1
  Ta  Ta167  1  0.583459  0.187774  0.529840  1
  Ta  Ta168  1  0.109068  0.560008  0.484107  1
  Ta  Ta169  1  0.417921  0.630404  0.475460  1
  Ta  Ta170  1  0.892457  0.258581  0.521348  1
  Ta  Ta171  1  0.236360  0.702796  0.528116  1
  Ta  Ta172  1  0.762047  0.074499  0.482243  1
  Ta  Ta173  1  0.544483  0.586167  0.480904  1
  Ta  Ta174  1  0.019023  0.214323  0.526780  1
  Ta  Ta175  1  0.445709  0.845399  0.510442  1
  Ta  Ta176  1  0.971496  0.217632  0.464649  1
  Ta  Ta177  1  0.327890  0.284798  0.518115  1
  Ta  Ta178  1  0.853497  0.657033  0.472407  1
  Ta  Ta179  1  0.287913  0.678613  0.469430  1
  Ta  Ta180  1  0.762396  0.306567  0.515338  1
  Ta  Ta181  1  0.669563  0.967424  0.557361  1
  Ta  Ta182  1  0.143817  0.595142  0.603222  1
  Ta  Ta183  1  0.288122  0.032154  0.611381  1
  Ta  Ta184  1  0.813797  0.404028  0.564943  1
  Ta  Ta185  1  0.314065  0.760897  0.614044  1
  Ta  Ta186  1  0.840067  0.132138  0.567810  1
  Ta  Ta187  1  0.252390  0.476486  0.556181  1
  Ta  Ta188  1  0.726902  0.104641  0.602199  1
  Ta  Ta189  1  0.607762  0.252290  0.583549  1
  Ta  Ta190  1  0.082157  0.879663  0.629122  1
  Ta  Ta191  1  0.623283  0.794697  0.578602  1
  Ta  Ta192  1  0.098094  0.421684  0.624840  1
  Ta  Ta193  1  0.558267  0.675268  0.623791  1
  Ta  Ta194  1  0.084392  0.046467  0.578217  1
  Ta  Ta195  1  0.249347  0.310947  0.607501  1
  Ta  Ta196  1  0.775779  0.682985  0.561663  1
  Ta  Ta197  1  0.520681  0.953612  0.620922  1
  Ta  Ta198  1  0.046523  0.324919  0.574813  1
  Ta  Ta199  1  0.623720  0.027161  0.612102  1
  Ta  Ta200  1  0.149288  0.398081  0.565949  1
  Ta  Ta201  1  0.375645  0.325178  0.574263  1
  Ta  Ta202  1  0.849542  0.954150  0.620798  1
  Ta  Ta203  1  0.404269  0.492892  0.616058  1
  Ta  Ta204  1  0.929969  0.864440  0.569904  1
  Ta  Ta205  1  0.414207  0.882589  0.629694  1
  Ta  Ta206  1  0.940008  0.255424  0.583448  1
  Ta  Ta207  1  0.449001  0.662828  0.594917  1
  Ta  Ta208  1  0.974812  0.035103  0.549008  1
  Ta  Ta209  1  0.190521  0.761783  0.582597  1
  Ta  Ta210  1  0.665261  0.388602  0.628008  1
  Ta  Ta211  1  0.484667  0.402989  0.565075  1
  Ta  Ta212  1  0.958844  0.030897  0.610786  1
  Ta  Ta213  1  0.339879  0.632414  0.567819  1
  Ta  Ta214  1  0.814524  0.259945  0.613534  1
  Ta  Ta215  1  0.495443  0.223666  0.617679  1
  Ta  Ta216  1  0.020045  0.596597  0.571999  1
  Ta  Ta217  1  0.167348  0.178333  0.593086  1
  Ta  Ta218  1  0.692841  0.550517  0.546909  1
  Ta  Ta219  1  0.584018  0.546676  0.578158  1
  Ta  Ta220  1  0.058981  0.175616  0.624114  1
  Ta  Ta221  1  0.520413  0.096273  0.571981  1
  Ta  Ta222  1  0.994104  0.724611  0.617933  1
  Ta  Ta223  1  0.361035  0.315733  0.633562  1
  Ta  Ta224  1  0.885144  0.693997  0.590875  1
  Ta  Ta225  1  0.275754  0.181864  0.561509  1
  Ta  Ta226  1  0.750194  0.811563  0.607536  1
  Ta  Ta227  1  0.532298  0.442782  0.621734  1
  Ta  Ta228  1  0.057757  0.815684  0.575685  1
  Ta  Ta229  1  0.366649  0.886275  0.567258  1
  Ta  Ta230  1  0.841289  0.514473  0.613014  1
  Ta  Ta231  1  0.185436  0.958842  0.620297  1
  Ta  Ta232  1  0.710939  0.330469  0.573801  1
  Ta  Ta233  1  0.493302  0.841956  0.572568  1
  Ta  Ta234  1  0.967746  0.470077  0.618467  1
  Ta  Ta235  1  0.395052  0.098288  0.601565  1
  Ta  Ta236  1  0.920207  0.473733  0.556354  1
  Ta  Ta237  1  0.276414  0.541457  0.610021  1
  Ta  Ta238  1  0.802229  0.913278  0.564118  1
  Ta  Ta239  1  0.236698  0.934691  0.561343  1
  Ta  Ta240  1  0.711206  0.562677  0.606705  1
  Ta  Ta241  1  0.618318  0.224772  0.649831  1
  Ta  Ta242  1  0.089176  0.852539  0.691728  1
  Ta  Ta243  1  0.240793  0.306421  0.703704  1
  Ta  Ta244  1  0.762403  0.657321  0.656190  1
  Ta  Ta245  1  0.261699  0.035692  0.703370  1
  Ta  Ta246  1  0.789765  0.388150  0.659797  1
  Ta  Ta247  1  0.200719  0.734303  0.648528  1
  Ta  Ta248  1  0.678201  0.361477  0.690974  1
  Ta  Ta249  1  0.556509  0.509653  0.673260  1
  Ta  Ta250  1  0.035027  0.130879  0.714631  1
  Ta  Ta251  1  0.571316  0.055835  0.670948  1
  Ta  Ta252  1  0.043701  0.675639  0.708794  1
  Ta  Ta253  1  0.510466  0.942404  0.713309  1
  Ta  Ta254  1  0.033524  0.301472  0.670266  1
  Ta  Ta255  1  0.195309  0.584019  0.697854  1
  Ta  Ta256  1  0.723381  0.941067  0.653969  1
  Ta  Ta257  1  0.461817  0.230759  0.711535  1
  Ta  Ta258  1  0.995801  0.574908  0.665853  1
  Ta  Ta259  1  0.568735  0.296194  0.702370  1
  Ta  Ta260  1  0.098093  0.651726  0.657410  1
  Ta  Ta261  1  0.322824  0.583986  0.666410  1
  Ta  Ta262  1  0.802296  0.208189  0.705644  1
  Ta  Ta263  1  0.349483  0.744215  0.707430  1
  Ta  Ta264  1  0.879632  0.118108  0.661482  1
  Ta  Ta265  1  0.366828  0.132918  0.715209  1
  Ta  Ta266  1  0.886975  0.513646  0.675686  1
  Ta  Ta267  1  0.398779  0.912198  0.686564  1
  Ta  Ta268  1  0.923693  0.292171  0.641076  1
  Ta  Ta269  1  0.140068  0.017943  0.673104  1
  Ta  Ta270  1  0.612103  0.640446  0.713320  1
  Ta  Ta271  1  0.431954  0.660052  0.657164  1
  Ta  Ta272  1  0.908922  0.282707  0.698189  1
  Ta  Ta273  1  0.288228  0.887599  0.660473  1
  Ta  Ta274  1  0.760097  0.524026  0.704648  1
  Ta  Ta275  1  0.436828  0.495456  0.706079  1
  Ta  Ta276  1  0.967657  0.852769  0.663782  1
  Ta  Ta277  1  0.116370  0.434452  0.686043  1
  Ta  Ta278  1  0.641572  0.808020  0.639104  1
  Ta  Ta279  1  0.532724  0.802874  0.669953  1
  Ta  Ta280  1  0.998968  0.438953  0.714218  1
  Ta  Ta281  1  0.469647  0.352380  0.663391  1
  Ta  Ta282  1  0.945438  0.986828  0.709072  1
  Ta  Ta283  1  0.314919  0.510750  0.722257  1
  Ta  Ta284  1  0.832126  0.955573  0.684099  1
  Ta  Ta285  1  0.224964  0.439393  0.653804  1
  Ta  Ta286  1  0.694782  0.078567  0.698766  1
  Ta  Ta287  1  0.483560  0.691123  0.710686  1
  Ta  Ta288  1  0.006800  0.070877  0.666157  1
  Ta  Ta289  1  0.315953  0.141194  0.658871  1
  Ta  Ta290  1  0.786251  0.773017  0.699224  1
  Ta  Ta291  1  0.134416  0.210514  0.709905  1
  Ta  Ta292  1  0.660520  0.585544  0.664414  1
  Ta  Ta293  1  0.443381  0.096067  0.664357  1
  Ta  Ta294  1  0.916498  0.725343  0.704370  1
  Ta  Ta295  1  0.346967  0.343546  0.685299  1
  Ta  Ta296  1  0.868130  0.730341  0.648084  1
  Ta  Ta297  1  0.223377  0.800740  0.701634  1
  Ta  Ta298  1  0.751018  0.167786  0.655977  1
  Ta  Ta299  1  0.185937  0.193934  0.653938  1
  Ta  Ta300  1  0.657316  0.820403  0.693889  1
