# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.59685274
_cell_length_b   11.37383829
_cell_length_c   50.75051050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.70303751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta300
_cell_volume   11980.0641158
_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  0.822039  0.215056  0.288697  1
  Ta  Ta2  1  0.294337  0.829794  0.328849  1
  Ta  Ta3  1  0.439705  0.275812  0.337200  1
  Ta  Ta4  1  0.963500  0.645348  0.289977  1
  Ta  Ta5  1  0.467753  0.998324  0.337751  1
  Ta  Ta6  1  0.997811  0.359411  0.292674  1
  Ta  Ta7  1  0.400572  0.716338  0.287845  1
  Ta  Ta8  1  0.879179  0.344629  0.327853  1
  Ta  Ta9  1  0.755766  0.492053  0.309573  1
  Ta  Ta10  1  0.233456  0.117048  0.353350  1
  Ta  Ta11  1  0.777608  0.032757  0.307220  1
  Ta  Ta12  1  0.250659  0.650168  0.347924  1
  Ta  Ta13  1  0.710082  0.910446  0.347422  1
  Ta  Ta14  1  0.242766  0.262129  0.303140  1
  Ta  Ta15  1  0.400627  0.549351  0.331377  1
  Ta  Ta16  1  0.926029  0.916099  0.286596  1
  Ta  Ta17  1  0.671308  0.194590  0.346433  1
  Ta  Ta18  1  0.193273  0.541660  0.296802  1
  Ta  Ta19  1  0.774263  0.269668  0.338269  1
  Ta  Ta20  1  0.300908  0.637955  0.291197  1
  Ta  Ta21  1  0.526217  0.569960  0.303496  1
  Ta  Ta22  1  0.003546  0.192700  0.344310  1
  Ta  Ta23  1  0.554956  0.735017  0.342146  1
  Ta  Ta24  1  0.084733  0.105361  0.293705  1
  Ta  Ta25  1  0.567237  0.116840  0.354234  1
  Ta  Ta26  1  0.086447  0.501550  0.312460  1
  Ta  Ta27  1  0.601801  0.897289  0.316884  1
  Ta  Ta28  1  0.129833  0.297974  0.280276  1
  Ta  Ta29  1  0.346350  0.996772  0.309284  1
  Ta  Ta30  1  0.817344  0.627608  0.352311  1
  Ta  Ta31  1  0.630362  0.642823  0.296749  1
  Ta  Ta32  1  0.110798  0.264392  0.335081  1
  Ta  Ta33  1  0.488559  0.859515  0.292843  1
  Ta  Ta34  1  0.965056  0.498181  0.337097  1
  Ta  Ta35  1  0.645387  0.462097  0.341954  1
  Ta  Ta36  1  0.172989  0.808199  0.297633  1
  Ta  Ta37  1  0.318128  0.416527  0.315956  1
  Ta  Ta38  1  0.837878  0.809780  0.276929  1
  Ta  Ta39  1  0.737753  0.774207  0.301684  1
  Ta  Ta40  1  0.209119  0.410071  0.347299  1
  Ta  Ta41  1  0.676005  0.324733  0.297174  1
  Ta  Ta42  1  0.148464  0.959257  0.340977  1
  Ta  Ta43  1  0.511573  0.554808  0.361899  1
  Ta  Ta44  1  0.035374  0.943471  0.317006  1
  Ta  Ta45  1  0.437457  0.406312  0.288128  1
  Ta  Ta46  1  0.901629  0.050890  0.331426  1
  Ta  Ta47  1  0.684802  0.682679  0.346643  1
  Ta  Ta48  1  0.212472  0.045498  0.300098  1
  Ta  Ta49  1  0.518386  0.129760  0.296703  1
  Ta  Ta50  1  0.990664  0.757013  0.337774  1
  Ta  Ta51  1  0.336531  0.197477  0.345763  1
  Ta  Ta52  1  0.862027  0.568852  0.298497  1
  Ta  Ta53  1  0.647769  0.083252  0.301772  1
  Ta  Ta54  1  0.120402  0.708377  0.342368  1
  Ta  Ta55  1  0.547133  0.338909  0.326115  1
  Ta  Ta56  1  0.065964  0.730195  0.287043  1
  Ta  Ta57  1  0.427220  0.781369  0.336838  1
  Ta  Ta58  1  0.951662  0.159179  0.290062  1
  Ta  Ta59  1  0.392271  0.174566  0.293229  1
  Ta  Ta60  1  0.861839  0.801402  0.331291  1
  Ta  Ta61  1  0.768681  0.462487  0.374572  1
  Ta  Ta62  1  0.243402  0.086735  0.419405  1
  Ta  Ta63  1  0.389540  0.524698  0.427665  1
  Ta  Ta64  1  0.915779  0.896733  0.381656  1
  Ta  Ta65  1  0.414576  0.254121  0.429891  1
  Ta  Ta66  1  0.940327  0.625263  0.383608  1
  Ta  Ta67  1  0.353628  0.969447  0.373681  1
  Ta  Ta68  1  0.828598  0.595682  0.418595  1
  Ta  Ta69  1  0.707206  0.747852  0.399803  1
  Ta  Ta70  1  0.181430  0.374998  0.445270  1
  Ta  Ta71  1  0.724959  0.285126  0.395711  1
  Ta  Ta72  1  0.199661  0.911089  0.440704  1
  Ta  Ta73  1  0.659101  0.166140  0.440169  1
  Ta  Ta74  1  0.185561  0.536873  0.393913  1
  Ta  Ta75  1  0.350983  0.803570  0.423764  1
  Ta  Ta76  1  0.877858  0.175490  0.377986  1
  Ta  Ta77  1  0.620018  0.446423  0.436966  1
  Ta  Ta78  1  0.146203  0.816978  0.390097  1
  Ta  Ta79  1  0.724470  0.521263  0.428061  1
  Ta  Ta80  1  0.250288  0.891307  0.381777  1
  Ta  Ta81  1  0.477257  0.820620  0.391558  1
  Ta  Ta82  1  0.952234  0.447526  0.436444  1
  Ta  Ta83  1  0.504922  0.985589  0.432291  1
  Ta  Ta84  1  0.031044  0.355856  0.385376  1
  Ta  Ta85  1  0.515403  0.373368  0.445915  1
  Ta  Ta86  1  0.041122  0.748011  0.400169  1
  Ta  Ta87  1  0.550021  0.156794  0.410752  1
  Ta  Ta88  1  0.074490  0.533682  0.366600  1
  Ta  Ta89  1  0.291450  0.256583  0.398965  1
  Ta  Ta90  1  0.766538  0.883491  0.444399  1
  Ta  Ta91  1  0.584233  0.895052  0.381532  1
  Ta  Ta92  1  0.058320  0.522699  0.427089  1
  Ta  Ta93  1  0.440823  0.124011  0.384156  1
  Ta  Ta94  1  0.914987  0.753049  0.429497  1
  Ta  Ta95  1  0.595185  0.717022  0.434246  1
  Ta  Ta96  1  0.121259  0.086852  0.387556  1
  Ta  Ta97  1  0.267687  0.670270  0.408852  1
  Ta  Ta98  1  0.793640  0.043727  0.364185  1
  Ta  Ta99  1  0.684827  0.036676  0.394358  1
  Ta  Ta100  1  0.158809  0.666716  0.439958  1
  Ta  Ta101  1  0.621252  0.587677  0.388618  1
  Ta  Ta102  1  0.095849  0.216180  0.433723  1
  Ta  Ta103  1  0.460005  0.813284  0.453546  1
  Ta  Ta104  1  0.986165  0.186088  0.407563  1
  Ta  Ta105  1  0.376547  0.672535  0.378089  1
  Ta  Ta106  1  0.851345  0.303480  0.423681  1
  Ta  Ta107  1  0.633954  0.935492  0.438195  1
  Ta  Ta108  1  0.159933  0.306378  0.391698  1
  Ta  Ta109  1  0.466121  0.379829  0.384145  1
  Ta  Ta110  1  0.940787  0.007816  0.429403  1
  Ta  Ta111  1  0.285174  0.450526  0.436578  1
  Ta  Ta112  1  0.811228  0.820830  0.390343  1
  Ta  Ta113  1  0.594846  0.335680  0.389286  1
  Ta  Ta114  1  0.069920  0.963196  0.434381  1
  Ta  Ta115  1  0.494354  0.597033  0.418514  1
  Ta  Ta116  1  0.020309  0.971130  0.372669  1
  Ta  Ta117  1  0.375778  0.035880  0.426445  1
  Ta  Ta118  1  0.901712  0.408214  0.380385  1
  Ta  Ta119  1  0.335785  0.430570  0.377141  1
  Ta  Ta120  1  0.810822  0.058400  0.423069  1
  Ta  Ta121  1  0.718161  0.715112  0.465423  1
  Ta  Ta122  1  0.192455  0.342592  0.511007  1
  Ta  Ta123  1  0.338428  0.780620  0.519156  1
  Ta  Ta124  1  0.864497  0.152093  0.473061  1
  Ta  Ta125  1  0.363295  0.510276  0.521690  1
  Ta  Ta126  1  0.889401  0.881269  0.475435  1
  Ta  Ta127  1  0.302587  0.223786  0.464505  1
  Ta  Ta128  1  0.777394  0.850882  0.510012  1
  Ta  Ta129  1  0.655928  1.003215  0.491276  1
  Ta  Ta130  1  0.130580  0.630664  0.536897  1
  Ta  Ta131  1  0.673824  0.539950  0.486822  1
  Ta  Ta132  1  0.148397  0.167727  0.532529  1
  Ta  Ta133  1  0.607506  0.422539  0.531764  1
  Ta  Ta134  1  0.133583  0.794375  0.485900  1
  Ta  Ta135  1  0.299579  0.060105  0.515480  1
  Ta  Ta136  1  0.825817  0.431545  0.469511  1
  Ta  Ta137  1  0.568792  0.702075  0.528243  1
  Ta  Ta138  1  0.094756  0.073827  0.482211  1
  Ta  Ta139  1  0.673355  0.776442  0.519193  1
  Ta  Ta140  1  0.199079  0.147952  0.473243  1
  Ta  Ta141  1  0.425995  0.076081  0.482642  1
  Ta  Ta142  1  0.900822  0.703579  0.528111  1
  Ta  Ta143  1  0.453535  0.241544  0.523776  1
  Ta  Ta144  1  0.979698  0.612781  0.477553  1
  Ta  Ta145  1  0.464072  0.629278  0.537342  1
  Ta  Ta146  1  0.990210  1.001332  0.491375  1
  Ta  Ta147  1  0.498438  0.413190  0.502325  1
  Ta  Ta148  1  0.024389  0.785525  0.456443  1
  Ta  Ta149  1  0.240707  0.511884  0.490386  1
  Ta  Ta150  1  0.715156  0.139004  0.535867  1
  Ta  Ta151  1  0.532457  0.150607  0.473228  1
  Ta  Ta152  1  0.007211  0.778282  0.518724  1
  Ta  Ta153  1  0.388873  0.381606  0.475749  1
  Ta  Ta154  1  0.863672  0.009249  0.521161  1
  Ta  Ta155  1  0.543867  0.972931  0.525870  1
  Ta  Ta156  1  0.069904  0.344155  0.479675  1
  Ta  Ta157  1  0.216581  0.927238  0.500696  1
  Ta  Ta158  1  0.742288  0.299147  0.455001  1
  Ta  Ta159  1  0.633187  0.294487  0.486095  1
  Ta  Ta160  1  0.107756  0.923143  0.531819  1
  Ta  Ta161  1  0.569614  0.844939  0.480166  1
  Ta  Ta162  1  0.044330  0.472770  0.525634  1
  Ta  Ta163  1  0.408816  0.068861  0.544883  1
  Ta  Ta164  1  0.934825  0.441072  0.499011  1
  Ta  Ta165  1  0.325424  0.931285  0.469573  1
  Ta  Ta166  1  0.800125  0.559590  0.515193  1
  Ta  Ta167  1  0.582561  0.191374  0.529639  1
  Ta  Ta168  1  0.108560  0.563278  0.483645  1
  Ta  Ta169  1  0.414711  0.635346  0.475372  1
  Ta  Ta170  1  0.889573  0.262890  0.520795  1
  Ta  Ta171  1  0.234087  0.706514  0.528143  1
  Ta  Ta172  1  0.759961  0.077663  0.482096  1
  Ta  Ta173  1  0.543694  0.591328  0.480539  1
  Ta  Ta174  1  0.018504  0.218992  0.526005  1
  Ta  Ta175  1  0.443023  0.852991  0.509970  1
  Ta  Ta176  1  0.969156  0.225046  0.463980  1
  Ta  Ta177  1  0.324617  0.291209  0.517738  1
  Ta  Ta178  1  0.850733  0.662746  0.471639  1
  Ta  Ta179  1  0.284783  0.686719  0.468864  1
  Ta  Ta180  1  0.759487  0.314163  0.514476  1
  Ta  Ta181  1  0.666773  0.970625  0.556877  1
  Ta  Ta182  1  0.141737  0.597854  0.602460  1
  Ta  Ta183  1  0.287024  0.037549  0.611281  1
  Ta  Ta184  1  0.813273  0.407715  0.564377  1
  Ta  Ta185  1  0.311972  0.767651  0.613802  1
  Ta  Ta186  1  0.838081  0.137158  0.567102  1
  Ta  Ta187  1  0.251734  0.479482  0.556119  1
  Ta  Ta188  1  0.726077  0.106261  0.601454  1
  Ta  Ta189  1  0.604672  0.258504  0.582657  1
  Ta  Ta190  1  0.079580  0.884892  0.627756  1
  Ta  Ta191  1  0.622490  0.795681  0.578182  1
  Ta  Ta192  1  0.097456  0.423781  0.624297  1
  Ta  Ta193  1  0.555487  0.678540  0.623213  1
  Ta  Ta194  1  0.082208  0.050817  0.577644  1
  Ta  Ta195  1  0.247644  0.317613  0.607471  1
  Ta  Ta196  1  0.774243  0.687876  0.561122  1
  Ta  Ta197  1  0.517569  0.957593  0.619602  1
  Ta  Ta198  1  0.043670  0.329648  0.573739  1
  Ta  Ta199  1  0.622022  0.033218  0.610921  1
  Ta  Ta200  1  0.148010  0.403907  0.564829  1
  Ta  Ta201  1  0.374887  0.331745  0.574242  1
  Ta  Ta202  1  0.848929  0.959221  0.619857  1
  Ta  Ta203  1  0.402188  0.498570  0.615864  1
  Ta  Ta204  1  0.928316  0.868685  0.569098  1
  Ta  Ta205  1  0.412970  0.883319  0.628613  1
  Ta  Ta206  1  0.938887  0.257207  0.582879  1
  Ta  Ta207  1  0.447070  0.668345  0.593728  1
  Ta  Ta208  1  0.973212  0.041017  0.547828  1
  Ta  Ta209  1  0.189761  0.767748  0.581993  1
  Ta  Ta210  1  0.664507  0.391809  0.626738  1
  Ta  Ta211  1  0.481016  0.406760  0.564855  1
  Ta  Ta212  1  0.955932  0.033675  0.609861  1
  Ta  Ta213  1  0.337318  0.638332  0.567627  1
  Ta  Ta214  1  0.811977  0.266502  0.612751  1
  Ta  Ta215  1  0.493012  0.228871  0.617666  1
  Ta  Ta216  1  0.018644  0.600216  0.571511  1
  Ta  Ta217  1  0.165501  0.184169  0.592566  1
  Ta  Ta218  1  0.691040  0.554920  0.546278  1
  Ta  Ta219  1  0.581938  0.550613  0.577563  1
  Ta  Ta220  1  0.056680  0.181717  0.623342  1
  Ta  Ta221  1  0.518275  0.101229  0.571777  1
  Ta  Ta222  1  0.992412  0.730278  0.617267  1
  Ta  Ta223  1  0.358733  0.320878  0.634718  1
  Ta  Ta224  1  0.883258  0.697385  0.590628  1
  Ta  Ta225  1  0.274370  0.187751  0.561423  1
  Ta  Ta226  1  0.748486  0.817326  0.606908  1
  Ta  Ta227  1  0.531533  0.446247  0.620901  1
  Ta  Ta228  1  0.057413  0.818527  0.574970  1
  Ta  Ta229  1  0.363275  0.891278  0.566962  1
  Ta  Ta230  1  0.838410  0.518470  0.612089  1
  Ta  Ta231  1  0.182964  0.963075  0.619632  1
  Ta  Ta232  1  0.708820  0.332906  0.573249  1
  Ta  Ta233  1  0.492469  0.846514  0.571884  1
  Ta  Ta234  1  0.967103  0.474379  0.617271  1
  Ta  Ta235  1  0.392118  0.106440  0.601133  1
  Ta  Ta236  1  0.917853  0.480854  0.555450  1
  Ta  Ta237  1  0.273249  0.548171  0.609675  1
  Ta  Ta238  1  0.799360  0.918560  0.563104  1
  Ta  Ta239  1  0.233513  0.943389  0.560686  1
  Ta  Ta240  1  0.708341  0.568933  0.605586  1
  Ta  Ta241  1  0.615830  0.226168  0.648797  1
  Ta  Ta242  1  0.087002  0.857520  0.692150  1
  Ta  Ta243  1  0.240701  0.312306  0.704488  1
  Ta  Ta244  1  0.761808  0.659685  0.654915  1
  Ta  Ta245  1  0.260906  0.046319  0.703714  1
  Ta  Ta246  1  0.787701  0.392087  0.659436  1
  Ta  Ta247  1  0.199810  0.737358  0.648065  1
  Ta  Ta248  1  0.676709  0.361282  0.691792  1
  Ta  Ta249  1  0.553915  0.509994  0.673544  1
  Ta  Ta250  1  0.032525  0.138602  0.713507  1
  Ta  Ta251  1  0.571367  0.053716  0.670272  1
  Ta  Ta252  1  0.040581  0.680202  0.708114  1
  Ta  Ta253  1  0.507643  0.942554  0.713209  1
  Ta  Ta254  1  0.032652  0.304954  0.670040  1
  Ta  Ta255  1  0.190849  0.592177  0.698270  1
  Ta  Ta256  1  0.722917  0.943641  0.653802  1
  Ta  Ta257  1  0.470912  0.208614  0.710196  1
  Ta  Ta258  1  0.993582  0.578354  0.664209  1
  Ta  Ta259  1  0.571207  0.283926  0.701641  1
  Ta  Ta260  1  0.096717  0.656884  0.655699  1
  Ta  Ta261  1  0.322604  0.590043  0.666226  1
  Ta  Ta262  1  0.802064  0.211787  0.704579  1
  Ta  Ta263  1  0.349238  0.748327  0.707466  1
  Ta  Ta264  1  0.878046  0.119224  0.659294  1
  Ta  Ta265  1  0.369281  0.123927  0.714312  1
  Ta  Ta266  1  0.885978  0.515462  0.675273  1
  Ta  Ta267  1  0.398302  0.911467  0.684325  1
  Ta  Ta268  1  0.921601  0.299357  0.639529  1
  Ta  Ta269  1  0.138982  0.024468  0.672555  1
  Ta  Ta270  1  0.611069  0.643217  0.712553  1
  Ta  Ta271  1  0.429781  0.661926  0.656990  1
  Ta  Ta272  1  0.906644  0.284445  0.697887  1
  Ta  Ta273  1  0.284978  0.895283  0.660391  1
  Ta  Ta274  1  0.756688  0.530511  0.704102  1
  Ta  Ta275  1  0.436645  0.493888  0.708671  1
  Ta  Ta276  1  0.965211  0.856083  0.663664  1
  Ta  Ta277  1  0.115309  0.437871  0.685566  1
  Ta  Ta278  1  0.639587  0.810390  0.637041  1
  Ta  Ta279  1  0.531915  0.803363  0.669652  1
  Ta  Ta280  1  0.995608  0.448247  0.713225  1
  Ta  Ta281  1  0.468198  0.356705  0.664044  1
  Ta  Ta282  1  0.944294  0.995183  0.708512  1
  Ta  Ta283  1  0.304002  0.556486  0.721007  1
  Ta  Ta284  1  0.830320  0.958143  0.684622  1
  Ta  Ta285  1  0.224190  0.444359  0.654098  1
  Ta  Ta286  1  0.693772  0.081996  0.698668  1
  Ta  Ta287  1  0.481896  0.697388  0.711284  1
  Ta  Ta288  1  0.005906  0.072852  0.664598  1
  Ta  Ta289  1  0.313068  0.146134  0.658991  1
  Ta  Ta290  1  0.784550  0.772458  0.699526  1
  Ta  Ta291  1  0.132695  0.215891  0.710114  1
  Ta  Ta292  1  0.658943  0.584331  0.663101  1
  Ta  Ta293  1  0.443010  0.097294  0.663394  1
  Ta  Ta294  1  0.914315  0.725151  0.704518  1
  Ta  Ta295  1  0.347484  0.352789  0.688911  1
  Ta  Ta296  1  0.865919  0.737527  0.647168  1
  Ta  Ta297  1  0.221212  0.808884  0.701260  1
  Ta  Ta298  1  0.748106  0.171624  0.654698  1
  Ta  Ta299  1  0.182718  0.204186  0.653507  1
  Ta  Ta300  1  0.655388  0.822555  0.693288  1
