# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.60790232
_cell_length_b   11.36403612
_cell_length_c   50.49872847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.66132800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11912.4410757
_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  0.824234  0.201862  0.287379  1
  Ta  Ta2  1  0.297751  0.816504  0.329259  1
  Ta  Ta3  1  0.441854  0.260875  0.336340  1
  Ta  Ta4  1  0.967255  0.625654  0.288904  1
  Ta  Ta5  1  0.470149  0.982512  0.338496  1
  Ta  Ta6  1  1.000967  0.344250  0.294728  1
  Ta  Ta7  1  0.401510  0.708021  0.286294  1
  Ta  Ta8  1  0.881566  0.329428  0.328254  1
  Ta  Ta9  1  0.758300  0.476612  0.310855  1
  Ta  Ta10  1  0.237106  0.100515  0.353599  1
  Ta  Ta11  1  0.779712  0.018136  0.307278  1
  Ta  Ta12  1  0.251751  0.640474  0.347978  1
  Ta  Ta13  1  0.713569  0.894372  0.348173  1
  Ta  Ta14  1  0.243835  0.249712  0.303752  1
  Ta  Ta15  1  0.404117  0.533370  0.331793  1
  Ta  Ta16  1  0.925361  0.904346  0.287661  1
  Ta  Ta17  1  0.675577  0.177590  0.345986  1
  Ta  Ta18  1  0.196814  0.531429  0.297242  1
  Ta  Ta19  1  0.777274  0.250751  0.337552  1
  Ta  Ta20  1  0.303505  0.622538  0.290423  1
  Ta  Ta21  1  0.528250  0.552534  0.303122  1
  Ta  Ta22  1  0.005816  0.177409  0.344600  1
  Ta  Ta23  1  0.557821  0.718175  0.340947  1
  Ta  Ta24  1  0.088492  0.088975  0.293403  1
  Ta  Ta25  1  0.569589  0.105103  0.354231  1
  Ta  Ta26  1  0.089815  0.488765  0.312520  1
  Ta  Ta27  1  0.603974  0.882969  0.318033  1
  Ta  Ta28  1  0.130929  0.295334  0.277702  1
  Ta  Ta29  1  0.348984  0.982870  0.310305  1
  Ta  Ta30  1  0.819323  0.611486  0.352138  1
  Ta  Ta31  1  0.634284  0.629050  0.295152  1
  Ta  Ta32  1  0.115318  0.251238  0.335241  1
  Ta  Ta33  1  0.491787  0.850902  0.291851  1
  Ta  Ta34  1  0.967285  0.485321  0.337551  1
  Ta  Ta35  1  0.648094  0.446243  0.342343  1
  Ta  Ta36  1  0.176770  0.801332  0.298381  1
  Ta  Ta37  1  0.321016  0.402679  0.315999  1
  Ta  Ta38  1  0.837521  0.796649  0.273730  1
  Ta  Ta39  1  0.740253  0.760808  0.302542  1
  Ta  Ta40  1  0.212476  0.396286  0.347813  1
  Ta  Ta41  1  0.675888  0.315401  0.296340  1
  Ta  Ta42  1  0.149608  0.947732  0.341626  1
  Ta  Ta43  1  0.514262  0.543520  0.361569  1
  Ta  Ta44  1  0.038194  0.928723  0.316107  1
  Ta  Ta45  1  0.438915  0.398940  0.286817  1
  Ta  Ta46  1  0.905328  0.035654  0.332002  1
  Ta  Ta47  1  0.685581  0.668751  0.346608  1
  Ta  Ta48  1  0.215068  0.030956  0.299408  1
  Ta  Ta49  1  0.520713  0.112715  0.296662  1
  Ta  Ta50  1  0.993617  0.741457  0.337648  1
  Ta  Ta51  1  0.339652  0.184822  0.345146  1
  Ta  Ta52  1  0.865606  0.549131  0.297417  1
  Ta  Ta53  1  0.650881  0.065320  0.301735  1
  Ta  Ta54  1  0.121719  0.693938  0.342897  1
  Ta  Ta55  1  0.550578  0.323201  0.326506  1
  Ta  Ta56  1  0.068110  0.718567  0.285977  1
  Ta  Ta57  1  0.431544  0.764216  0.335804  1
  Ta  Ta58  1  0.954842  0.144540  0.289213  1
  Ta  Ta59  1  0.393986  0.160004  0.291971  1
  Ta  Ta60  1  0.865047  0.783295  0.330960  1
  Ta  Ta61  1  0.772514  0.446811  0.374008  1
  Ta  Ta62  1  0.247335  0.072353  0.419185  1
  Ta  Ta63  1  0.390990  0.509851  0.426883  1
  Ta  Ta64  1  0.916752  0.882939  0.381019  1
  Ta  Ta65  1  0.417587  0.238304  0.429833  1
  Ta  Ta66  1  0.942844  0.611268  0.383822  1
  Ta  Ta67  1  0.355882  0.954734  0.373041  1
  Ta  Ta68  1  0.830461  0.581887  0.418128  1
  Ta  Ta69  1  0.710958  0.730460  0.399799  1
  Ta  Ta70  1  0.185505  0.357444  0.445265  1
  Ta  Ta71  1  0.726838  0.271965  0.395248  1
  Ta  Ta72  1  0.201457  0.898521  0.440345  1
  Ta  Ta73  1  0.662051  0.150755  0.440081  1
  Ta  Ta74  1  0.187709  0.523185  0.393888  1
  Ta  Ta75  1  0.353681  0.787992  0.423654  1
  Ta  Ta76  1  0.879647  0.161423  0.378118  1
  Ta  Ta77  1  0.624481  0.429437  0.436910  1
  Ta  Ta78  1  0.150069  0.801895  0.390457  1
  Ta  Ta79  1  0.727336  0.503043  0.428056  1
  Ta  Ta80  1  0.252590  0.874682  0.381987  1
  Ta  Ta81  1  0.479219  0.803942  0.391271  1
  Ta  Ta82  1  0.953929  0.431121  0.436361  1
  Ta  Ta83  1  0.507973  0.969733  0.431958  1
  Ta  Ta84  1  0.033710  0.342349  0.385535  1
  Ta  Ta85  1  0.517787  0.360025  0.445470  1
  Ta  Ta86  1  0.043210  0.734132  0.399615  1
  Ta  Ta87  1  0.552374  0.140209  0.411138  1
  Ta  Ta88  1  0.077128  0.515374  0.366130  1
  Ta  Ta89  1  0.293838  0.239829  0.398661  1
  Ta  Ta90  1  0.768627  0.866485  0.444248  1
  Ta  Ta91  1  0.587941  0.881112  0.381335  1
  Ta  Ta92  1  0.062332  0.508136  0.426996  1
  Ta  Ta93  1  0.443598  0.110231  0.383977  1
  Ta  Ta94  1  0.917887  0.737466  0.429341  1
  Ta  Ta95  1  0.598148  0.701267  0.434010  1
  Ta  Ta96  1  0.124041  0.073358  0.387693  1
  Ta  Ta97  1  0.270389  0.655557  0.408602  1
  Ta  Ta98  1  0.796229  0.028868  0.363579  1
  Ta  Ta99  1  0.687451  0.023695  0.394555  1
  Ta  Ta100  1  0.161812  0.651781  0.440000  1
  Ta  Ta101  1  0.623430  0.574659  0.388579  1
  Ta  Ta102  1  0.098324  0.201689  0.433837  1
  Ta  Ta103  1  0.463469  0.799166  0.452785  1
  Ta  Ta104  1  0.989473  0.172279  0.406711  1
  Ta  Ta105  1  0.379176  0.658799  0.377744  1
  Ta  Ta106  1  0.854322  0.287718  0.423439  1
  Ta  Ta107  1  0.635331  0.920705  0.437773  1
  Ta  Ta108  1  0.161152  0.293095  0.391588  1
  Ta  Ta109  1  0.470027  0.364707  0.383606  1
  Ta  Ta110  1  0.944807  0.992068  0.429006  1
  Ta  Ta111  1  0.288279  0.436724  0.435638  1
  Ta  Ta112  1  0.814054  0.808365  0.389752  1
  Ta  Ta113  1  0.596675  0.320187  0.389030  1
  Ta  Ta114  1  0.071554  0.947466  0.434274  1
  Ta  Ta115  1  0.497778  0.579157  0.418489  1
  Ta  Ta116  1  0.023525  0.953385  0.372407  1
  Ta  Ta117  1  0.380520  0.018826  0.426131  1
  Ta  Ta118  1  0.906198  0.392367  0.380273  1
  Ta  Ta119  1  0.339309  0.414108  0.377052  1
  Ta  Ta120  1  0.814656  0.040100  0.423134  1
  Ta  Ta121  1  0.721992  0.699854  0.465002  1
  Ta  Ta122  1  0.196507  0.326958  0.510648  1
  Ta  Ta123  1  0.340266  0.764432  0.518336  1
  Ta  Ta124  1  0.866056  0.136936  0.472502  1
  Ta  Ta125  1  0.366621  0.492758  0.521213  1
  Ta  Ta126  1  0.892414  0.865165  0.475293  1
  Ta  Ta127  1  0.304809  0.209145  0.463885  1
  Ta  Ta128  1  0.779583  0.835992  0.509446  1
  Ta  Ta129  1  0.660019  0.984804  0.491165  1
  Ta  Ta130  1  0.134724  0.611776  0.536744  1
  Ta  Ta131  1  0.675933  0.526105  0.486239  1
  Ta  Ta132  1  0.150706  0.153190  0.531927  1
  Ta  Ta133  1  0.610969  0.405382  0.531359  1
  Ta  Ta134  1  0.136669  0.778112  0.485573  1
  Ta  Ta135  1  0.302869  0.042821  0.515049  1
  Ta  Ta136  1  0.828618  0.415457  0.469254  1
  Ta  Ta137  1  0.573532  0.683883  0.528108  1
  Ta  Ta138  1  0.099278  0.056503  0.482286  1
  Ta  Ta139  1  0.676468  0.757220  0.519210  1
  Ta  Ta140  1  0.202006  0.129793  0.473476  1
  Ta  Ta141  1  0.428049  0.058528  0.482307  1
  Ta  Ta142  1  0.902874  0.685408  0.527744  1
  Ta  Ta143  1  0.456890  0.224177  0.523249  1
  Ta  Ta144  1  0.982676  0.596733  0.477358  1
  Ta  Ta145  1  0.466790  0.614554  0.536799  1
  Ta  Ta146  1  0.992693  0.987152  0.490880  1
  Ta  Ta147  1  0.501193  0.394796  0.502457  1
  Ta  Ta148  1  0.026971  0.767514  0.456575  1
  Ta  Ta149  1  0.243024  0.493984  0.489977  1
  Ta  Ta150  1  0.717608  0.120947  0.535610  1
  Ta  Ta151  1  0.536707  0.135397  0.472878  1
  Ta  Ta152  1  0.011500  0.762357  0.518318  1
  Ta  Ta153  1  0.392133  0.364870  0.475240  1
  Ta  Ta154  1  0.867036  0.991610  0.520726  1
  Ta  Ta155  1  0.547169  0.955686  0.525310  1
  Ta  Ta156  1  0.072930  0.328177  0.479406  1
  Ta  Ta157  1  0.219766  0.910466  0.500314  1
  Ta  Ta158  1  0.745293  0.283215  0.454740  1
  Ta  Ta159  1  0.636292  0.278898  0.485973  1
  Ta  Ta160  1  0.111039  0.906198  0.531542  1
  Ta  Ta161  1  0.572547  0.829191  0.479895  1
  Ta  Ta162  1  0.047415  0.456019  0.525386  1
  Ta  Ta163  1  0.412580  0.053430  0.544025  1
  Ta  Ta164  1  0.938386  0.426063  0.498158  1
  Ta  Ta165  1  0.328498  0.914704  0.469088  1
  Ta  Ta166  1  0.803306  0.541884  0.514641  1
  Ta  Ta167  1  0.584266  0.175328  0.529113  1
  Ta  Ta168  1  0.110015  0.547910  0.483244  1
  Ta  Ta169  1  0.418930  0.619091  0.474860  1
  Ta  Ta170  1  0.893894  0.246090  0.520319  1
  Ta  Ta171  1  0.237530  0.691146  0.527152  1
  Ta  Ta172  1  0.763134  0.063561  0.481395  1
  Ta  Ta173  1  0.545682  0.574715  0.480303  1
  Ta  Ta174  1  0.020625  0.201762  0.525770  1
  Ta  Ta175  1  0.446870  0.833733  0.509739  1
  Ta  Ta176  1  0.972779  0.206351  0.463813  1
  Ta  Ta177  1  0.329526  0.273039  0.517372  1
  Ta  Ta178  1  0.855325  0.645527  0.471492  1
  Ta  Ta179  1  0.288833  0.667723  0.468701  1
  Ta  Ta180  1  0.763659  0.294679  0.514375  1
  Ta  Ta181  1  0.670975  0.954320  0.556347  1
  Ta  Ta182  1  0.145708  0.581089  0.601977  1
  Ta  Ta183  1  0.289499  0.019097  0.610153  1
  Ta  Ta184  1  0.815102  0.391255  0.563716  1
  Ta  Ta185  1  0.315551  0.747714  0.612923  1
  Ta  Ta186  1  0.841417  0.119488  0.566629  1
  Ta  Ta187  1  0.254029  0.463519  0.555357  1
  Ta  Ta188  1  0.728610  0.090327  0.600837  1
  Ta  Ta189  1  0.609133  0.239008  0.582471  1
  Ta  Ta190  1  0.083678  0.866096  0.627615  1
  Ta  Ta191  1  0.624941  0.780713  0.577453  1
  Ta  Ta192  1  0.100255  0.406715  0.623587  1
  Ta  Ta193  1  0.559924  0.659628  0.622506  1
  Ta  Ta194  1  0.085867  0.032847  0.576988  1
  Ta  Ta195  1  0.251845  0.297777  0.606719  1
  Ta  Ta196  1  0.777549  0.669985  0.560529  1
  Ta  Ta197  1  0.522850  0.938094  0.619561  1
  Ta  Ta198  1  0.048562  0.310967  0.573753  1
  Ta  Ta199  1  0.625567  0.012463  0.610826  1
  Ta  Ta200  1  0.151253  0.384184  0.564993  1
  Ta  Ta201  1  0.377230  0.312878  0.573594  1
  Ta  Ta202  1  0.851525  0.939635  0.619338  1
  Ta  Ta203  1  0.405872  0.478807  0.615039  1
  Ta  Ta204  1  0.931580  0.851069  0.568688  1
  Ta  Ta205  1  0.416102  0.867783  0.628197  1
  Ta  Ta206  1  0.941776  0.241566  0.582155  1
  Ta  Ta207  1  0.450131  0.648771  0.593893  1
  Ta  Ta208  1  0.976078  0.021661  0.547854  1
  Ta  Ta209  1  0.192207  0.748597  0.581449  1
  Ta  Ta210  1  0.667055  0.373932  0.626641  1
  Ta  Ta211  1  0.485663  0.389828  0.564244  1
  Ta  Ta212  1  0.960280  0.016789  0.609393  1
  Ta  Ta213  1  0.341228  0.619323  0.566776  1
  Ta  Ta214  1  0.816059  0.245907  0.612088  1
  Ta  Ta215  1  0.496818  0.209621  0.616749  1
  Ta  Ta216  1  0.021969  0.582524  0.570805  1
  Ta  Ta217  1  0.169152  0.165333  0.592033  1
  Ta  Ta218  1  0.694307  0.537556  0.545867  1
  Ta  Ta219  1  0.585266  0.533159  0.577180  1
  Ta  Ta220  1  0.060373  0.161929  0.622907  1
  Ta  Ta221  1  0.521694  0.083460  0.571237  1
  Ta  Ta222  1  0.995968  0.710550  0.616673  1
  Ta  Ta223  1  0.362500  0.305660  0.634409  1
  Ta  Ta224  1  0.887207  0.680504  0.589490  1
  Ta  Ta225  1  0.277722  0.169179  0.560613  1
  Ta  Ta226  1  0.752153  0.797048  0.606049  1
  Ta  Ta227  1  0.533416  0.428676  0.620371  1
  Ta  Ta228  1  0.059019  0.802037  0.574512  1
  Ta  Ta229  1  0.368007  0.873511  0.566335  1
  Ta  Ta230  1  0.842917  0.500358  0.611581  1
  Ta  Ta231  1  0.186999  0.946208  0.618657  1
  Ta  Ta232  1  0.712241  0.317744  0.572560  1
  Ta  Ta233  1  0.494773  0.828872  0.571590  1
  Ta  Ta234  1  0.969544  0.455937  0.617033  1
  Ta  Ta235  1  0.396358  0.086878  0.600958  1
  Ta  Ta236  1  0.921789  0.460721  0.555156  1
  Ta  Ta237  1  0.278409  0.527964  0.609028  1
  Ta  Ta238  1  0.804250  0.900070  0.562853  1
  Ta  Ta239  1  0.238088  0.922417  0.560282  1
  Ta  Ta240  1  0.712726  0.548727  0.605351  1
  Ta  Ta241  1  0.620173  0.209257  0.648413  1
  Ta  Ta242  1  0.090668  0.837897  0.690355  1
  Ta  Ta243  1  0.242900  0.289196  0.703376  1
  Ta  Ta244  1  0.763973  0.642905  0.654533  1
  Ta  Ta245  1  0.263059  0.019622  0.702245  1
  Ta  Ta246  1  0.791338  0.374190  0.658313  1
  Ta  Ta247  1  0.202501  0.720431  0.647043  1
  Ta  Ta248  1  0.680931  0.343808  0.689805  1
  Ta  Ta249  1  0.557997  0.492129  0.672371  1
  Ta  Ta250  1  0.037948  0.112870  0.714330  1
  Ta  Ta251  1  0.574304  0.038002  0.669164  1
  Ta  Ta252  1  0.045691  0.660693  0.708663  1
  Ta  Ta253  1  0.515844  0.919483  0.712583  1
  Ta  Ta254  1  0.035444  0.287286  0.668845  1
  Ta  Ta255  1  0.196093  0.570935  0.696911  1
  Ta  Ta256  1  0.725782  0.926322  0.652445  1
  Ta  Ta257  1  0.471127  0.198057  0.711057  1
  Ta  Ta258  1  0.997782  0.559793  0.664292  1
  Ta  Ta259  1  0.573600  0.271373  0.702512  1
  Ta  Ta260  1  0.099958  0.636025  0.655519  1
  Ta  Ta261  1  0.324406  0.570017  0.665333  1
  Ta  Ta262  1  0.804711  0.191200  0.705516  1
  Ta  Ta263  1  0.351447  0.732416  0.707185  1
  Ta  Ta264  1  0.881471  0.102405  0.659749  1
  Ta  Ta265  1  0.372004  0.102569  0.714615  1
  Ta  Ta266  1  0.889068  0.497159  0.674066  1
  Ta  Ta267  1  0.401872  0.893027  0.684513  1
  Ta  Ta268  1  0.925221  0.276976  0.639079  1
  Ta  Ta269  1  0.141884  0.004234  0.671400  1
  Ta  Ta270  1  0.615518  0.619675  0.713117  1
  Ta  Ta271  1  0.433895  0.644089  0.656003  1
  Ta  Ta272  1  0.911076  0.268064  0.697526  1
  Ta  Ta273  1  0.290120  0.873345  0.659002  1
  Ta  Ta274  1  0.763501  0.505435  0.704221  1
  Ta  Ta275  1  0.439065  0.477518  0.705738  1
  Ta  Ta276  1  0.969322  0.838266  0.662160  1
  Ta  Ta277  1  0.118634  0.418076  0.684648  1
  Ta  Ta278  1  0.643330  0.792111  0.636989  1
  Ta  Ta279  1  0.534528  0.786222  0.668601  1
  Ta  Ta280  1  1.000639  0.421755  0.713799  1
  Ta  Ta281  1  0.472237  0.336005  0.662910  1
  Ta  Ta282  1  0.947617  0.969827  0.708788  1
  Ta  Ta283  1  0.309734  0.524406  0.722858  1
  Ta  Ta284  1  0.835026  0.937855  0.682704  1
  Ta  Ta285  1  0.227035  0.424710  0.652777  1
  Ta  Ta286  1  0.697571  0.058714  0.698084  1
  Ta  Ta287  1  0.484971  0.678826  0.711413  1
  Ta  Ta288  1  0.007912  0.056455  0.664852  1
  Ta  Ta289  1  0.317946  0.127075  0.657697  1
  Ta  Ta290  1  0.789277  0.753897  0.698651  1
  Ta  Ta291  1  0.136123  0.198149  0.710202  1
  Ta  Ta292  1  0.662291  0.570167  0.663046  1
  Ta  Ta293  1  0.446097  0.079912  0.662879  1
  Ta  Ta294  1  0.918969  0.707996  0.703944  1
  Ta  Ta295  1  0.349467  0.332641  0.687887  1
  Ta  Ta296  1  0.870013  0.715529  0.646375  1
  Ta  Ta297  1  0.224882  0.789567  0.701229  1
  Ta  Ta298  1  0.753564  0.151610  0.654178  1
  Ta  Ta299  1  0.187864  0.180338  0.652656  1
  Ta  Ta300  1  0.660000  0.803153  0.692943  1
