# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12188672
_cell_length_b   25.64429638
_cell_length_c   45.97523821
_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   11933.7311077
_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  0.017779  0.895448  0.275040  1
  Ta  Ta2  1  0.006979  0.450494  0.316055  1
  Ta  Ta3  1  0.496692  0.674612  0.293842  1
  Ta  Ta4  1  0.501499  0.232909  0.341594  1
  Ta  Ta5  1  0.069355  0.538589  0.283691  1
  Ta  Ta6  1  0.063762  0.091100  0.325941  1
  Ta  Ta7  1  0.236860  0.687696  0.284808  1
  Ta  Ta8  1  0.239003  0.251283  0.333639  1
  Ta  Ta9  1  0.767524  0.650392  0.302456  1
  Ta  Ta10  1  0.760919  0.211306  0.351206  1
  Ta  Ta11  1  0.939432  0.813531  0.308109  1
  Ta  Ta12  1  0.937634  0.369300  0.353876  1
  Ta  Ta13  1  0.436344  0.877255  0.352602  1
  Ta  Ta14  1  0.429500  0.311071  0.301286  1
  Ta  Ta15  1  0.569161  0.591766  0.330527  1
  Ta  Ta16  1  0.566298  0.026142  0.287063  1
  Ta  Ta17  1  0.743030  0.873591  0.283266  1
  Ta  Ta18  1  0.742590  0.431041  0.327034  1
  Ta  Ta19  1  0.268423  0.468211  0.306577  1
  Ta  Ta20  1  0.261976  0.034578  0.356120  1
  Ta  Ta21  1  0.135282  0.744160  0.335897  1
  Ta  Ta22  1  0.137863  0.176989  0.294237  1
  Ta  Ta23  1  0.967106  0.720530  0.281785  1
  Ta  Ta24  1  0.961804  0.269075  0.322913  1
  Ta  Ta25  1  0.038387  0.632584  0.315997  1
  Ta  Ta26  1  0.036259  0.188112  0.359216  1
  Ta  Ta27  1  0.870910  0.723606  0.345113  1
  Ta  Ta28  1  0.868013  0.158797  0.304228  1
  Ta  Ta29  1  0.372023  0.524638  0.357252  1
  Ta  Ta30  1  0.368471  0.962306  0.315880  1
  Ta  Ta31  1  0.630049  0.940732  0.326321  1
  Ta  Ta32  1  0.620415  0.375712  0.283534  1
  Ta  Ta33  1  0.471600  0.854839  0.294323  1
  Ta  Ta34  1  0.467052  0.408914  0.336499  1
  Ta  Ta35  1  0.543134  0.496113  0.303412  1
  Ta  Ta36  1  0.536709  0.052096  0.346424  1
  Ta  Ta37  1  0.105555  0.545160  0.348955  1
  Ta  Ta38  1  0.100268  0.983192  0.309054  1
  Ta  Ta39  1  0.401504  0.766586  0.327597  1
  Ta  Ta40  1  0.401943  0.200030  0.287475  1
  Ta  Ta41  1  0.605139  0.701708  0.353948  1
  Ta  Ta42  1  0.601792  0.135345  0.312887  1
  Ta  Ta43  1  0.900069  0.919275  0.334540  1
  Ta  Ta44  1  0.892695  0.351649  0.292042  1
  Ta  Ta45  1  0.319000  0.576165  0.297825  1
  Ta  Ta46  1  0.319223  0.139976  0.342643  1
  Ta  Ta47  1  0.191115  0.863631  0.319782  1
  Ta  Ta48  1  0.160660  0.282955  0.277165  1
  Ta  Ta49  1  0.824947  0.536355  0.315122  1
  Ta  Ta50  1  0.816451  0.099954  0.360644  1
  Ta  Ta51  1  0.685889  0.821484  0.337771  1
  Ta  Ta52  1  0.685783  0.249677  0.293256  1
  Ta  Ta53  1  0.196359  0.794360  0.277912  1
  Ta  Ta54  1  0.179948  0.356032  0.319693  1
  Ta  Ta55  1  0.684800  0.757093  0.293204  1
  Ta  Ta56  1  0.681732  0.318636  0.337041  1
  Ta  Ta57  1  0.317688  0.644943  0.341487  1
  Ta  Ta58  1  0.325490  0.075261  0.297416  1
  Ta  Ta59  1  0.819768  0.602646  0.359696  1
  Ta  Ta60  1  0.812002  0.032526  0.315049  1
  Ta  Ta61  1  0.999392  0.014656  0.365168  1
  Ta  Ta62  1  0.002493  0.577016  0.408359  1
  Ta  Ta63  1  0.502851  0.795215  0.387066  1
  Ta  Ta64  1  0.501486  0.358677  0.431448  1
  Ta  Ta65  1  0.067460  0.660036  0.374183  1
  Ta  Ta66  1  0.064827  0.220298  0.419021  1
  Ta  Ta67  1  0.240224  0.815358  0.377997  1
  Ta  Ta68  1  0.239691  0.378954  0.422127  1
  Ta  Ta69  1  0.764313  0.775116  0.395262  1
  Ta  Ta70  1  0.763179  0.338319  0.440558  1
  Ta  Ta71  1  0.936746  0.932506  0.400967  1
  Ta  Ta72  1  0.937970  0.496153  0.444407  1
  Ta  Ta73  1  0.436518  1.002621  0.443458  1
  Ta  Ta74  1  0.437890  0.440151  0.395548  1
  Ta  Ta75  1  0.567343  0.714336  0.422709  1
  Ta  Ta76  1  0.564753  0.149946  0.377752  1
  Ta  Ta77  1  0.739452  0.993449  0.374200  1
  Ta  Ta78  1  0.740907  0.557305  0.417273  1
  Ta  Ta79  1  0.264919  0.596792  0.399078  1
  Ta  Ta80  1  0.262677  0.160107  0.446596  1
  Ta  Ta81  1  0.133302  0.869366  0.428029  1
  Ta  Ta82  1  0.131221  0.305468  0.381661  1
  Ta  Ta83  1  0.967533  0.836296  0.369144  1
  Ta  Ta84  1  0.965639  0.399413  0.413548  1
  Ta  Ta85  1  0.037931  0.755086  0.404982  1
  Ta  Ta86  1  0.037703  0.317597  0.449590  1
  Ta  Ta87  1  0.869634  0.847064  0.437792  1
  Ta  Ta88  1  0.869189  0.283805  0.391272  1
  Ta  Ta89  1  0.369845  0.651293  0.449473  1
  Ta  Ta90  1  0.369523  0.087190  0.405534  1
  Ta  Ta91  1  0.632382  0.065417  0.415258  1
  Ta  Ta92  1  0.634736  0.504191  0.367820  1
  Ta  Ta93  1  0.463664  0.973146  0.383777  1
  Ta  Ta94  1  0.466647  0.536587  0.426371  1
  Ta  Ta95  1  0.538411  0.618746  0.390607  1
  Ta  Ta96  1  0.537227  0.180307  0.437433  1
  Ta  Ta97  1  0.103911  0.671901  0.440878  1
  Ta  Ta98  1  0.103209  0.107878  0.396144  1
  Ta  Ta99  1  0.399217  0.889740  0.419333  1
  Ta  Ta100  1  0.398191  0.326638  0.372225  1
  Ta  Ta101  1  0.603813  0.826577  0.446757  1
  Ta  Ta102  1  0.602846  0.262931  0.400711  1
  Ta  Ta103  1  0.898495  0.044737  0.424407  1
  Ta  Ta104  1  0.901853  0.481633  0.376456  1
  Ta  Ta105  1  0.320788  0.706135  0.388421  1
  Ta  Ta106  1  0.316789  0.269381  0.433766  1
  Ta  Ta107  1  0.186041  0.987873  0.412777  1
  Ta  Ta108  1  0.188778  0.424876  0.363878  1
  Ta  Ta109  1  0.817243  0.665841  0.406363  1
  Ta  Ta110  1  0.816731  0.228251  0.452314  1
  Ta  Ta111  1  0.684747  0.946145  0.430895  1
  Ta  Ta112  1  0.685372  0.382381  0.383114  1
  Ta  Ta113  1  0.182959  0.924307  0.366924  1
  Ta  Ta114  1  0.185365  0.487656  0.410154  1
  Ta  Ta115  1  0.686435  0.883388  0.385103  1
  Ta  Ta116  1  0.686999  0.447391  0.428685  1
  Ta  Ta117  1  0.317305  0.769720  0.434764  1
  Ta  Ta118  1  0.316568  0.204269  0.389026  1
  Ta  Ta119  1  0.818218  0.728583  0.452552  1
  Ta  Ta120  1  0.817172  0.162571  0.407103  1
  Ta  Ta121  1  1.001111  0.139799  0.455553  1
  Ta  Ta122  1  1.001369  0.703349  0.500676  1
  Ta  Ta123  1  0.501136  0.921199  0.478975  1
  Ta  Ta124  1  0.501939  0.485517  0.522396  1
  Ta  Ta125  1  0.066563  0.784481  0.465187  1
  Ta  Ta126  1  0.066007  0.347881  0.509563  1
  Ta  Ta127  1  0.239290  0.941340  0.470015  1
  Ta  Ta128  1  0.239766  0.505536  0.513567  1
  Ta  Ta129  1  0.763226  0.901167  0.487790  1
  Ta  Ta130  1  0.763784  0.465487  0.531405  1
  Ta  Ta131  1  0.937030  0.058873  0.491827  1
  Ta  Ta132  1  0.936272  0.622222  0.536178  1
  Ta  Ta133  1  0.437668  0.129305  0.533796  1
  Ta  Ta134  1  0.436831  0.566414  0.486601  1
  Ta  Ta135  1  0.566039  0.840284  0.514755  1
  Ta  Ta136  1  0.565366  0.277421  0.467580  1
  Ta  Ta137  1  0.739502  0.119506  0.464670  1
  Ta  Ta138  1  0.739356  0.683596  0.509507  1
  Ta  Ta139  1  0.263438  0.723101  0.491869  1
  Ta  Ta140  1  0.263581  0.287179  0.536659  1
  Ta  Ta141  1  0.132660  0.995586  0.519567  1
  Ta  Ta142  1  0.133702  0.432890  0.471989  1
  Ta  Ta143  1  0.965366  0.962222  0.460929  1
  Ta  Ta144  1  0.966019  0.526279  0.504627  1
  Ta  Ta145  1  0.036943  0.880468  0.496773  1
  Ta  Ta146  1  0.037597  0.444560  0.540447  1
  Ta  Ta147  1  0.869218  0.973818  0.529383  1
  Ta  Ta148  1  0.870262  0.411112  0.481853  1
  Ta  Ta149  1  0.368971  0.777526  0.541850  1
  Ta  Ta150  1  0.370104  0.214211  0.495791  1
  Ta  Ta151  1  0.632979  0.192498  0.505567  1
  Ta  Ta152  1  0.633807  0.629188  0.459502  1
  Ta  Ta153  1  0.465113  0.099260  0.473868  1
  Ta  Ta154  1  0.465838  0.662388  0.518427  1
  Ta  Ta155  1  0.537023  0.744322  0.482925  1
  Ta  Ta156  1  0.538028  0.307505  0.527507  1
  Ta  Ta157  1  0.102752  0.798081  0.533215  1
  Ta  Ta158  1  0.103536  0.235165  0.486483  1
  Ta  Ta159  1  0.399074  0.016489  0.510520  1
  Ta  Ta160  1  0.399912  0.453875  0.462820  1
  Ta  Ta161  1  0.602993  0.952825  0.538550  1
  Ta  Ta162  1  0.603926  0.390243  0.490864  1
  Ta  Ta163  1  0.899487  0.171563  0.514880  1
  Ta  Ta164  1  0.899945  0.608591  0.468164  1
  Ta  Ta165  1  0.317926  0.832331  0.480870  1
  Ta  Ta166  1  0.317894  0.396599  0.524714  1
  Ta  Ta167  1  0.185821  0.115179  0.503726  1
  Ta  Ta168  1  0.186875  0.551949  0.456213  1
  Ta  Ta169  1  0.817938  0.792226  0.498921  1
  Ta  Ta170  1  0.818428  0.355911  0.543237  1
  Ta  Ta171  1  0.686198  0.073168  0.522082  1
  Ta  Ta172  1  0.686189  0.510542  0.474415  1
  Ta  Ta173  1  0.184705  0.050930  0.458239  1
  Ta  Ta174  1  0.184868  0.614452  0.502429  1
  Ta  Ta175  1  0.685385  0.010087  0.476631  1
  Ta  Ta176  1  0.684909  0.574420  0.520500  1
  Ta  Ta177  1  0.316660  0.896143  0.526973  1
  Ta  Ta178  1  0.316751  0.333537  0.479271  1
  Ta  Ta179  1  0.815922  0.854695  0.545160  1
  Ta  Ta180  1  0.817153  0.291655  0.497680  1
  Ta  Ta181  1  0.001916  0.266925  0.545794  1
  Ta  Ta182  1  1.000058  0.829517  0.593048  1
  Ta  Ta183  1  0.501428  0.048040  0.569923  1
  Ta  Ta184  1  0.499887  0.611357  0.614201  1
  Ta  Ta185  1  0.064738  0.910483  0.557010  1
  Ta  Ta186  1  0.066624  0.474489  0.600321  1
  Ta  Ta187  1  0.239758  0.068409  0.560823  1
  Ta  Ta188  1  0.238316  0.631496  0.605958  1
  Ta  Ta189  1  0.763205  0.027742  0.579236  1
  Ta  Ta190  1  0.762844  0.591182  0.623670  1
  Ta  Ta191  1  0.938199  0.186452  0.582356  1
  Ta  Ta192  1  0.935340  0.746240  0.627269  1
  Ta  Ta193  1  0.438407  0.256785  0.623599  1
  Ta  Ta194  1  0.435447  0.692362  0.578630  1
  Ta  Ta195  1  0.564872  0.966551  0.605799  1
  Ta  Ta196  1  0.566725  0.404183  0.557977  1
  Ta  Ta197  1  0.740391  0.246635  0.554759  1
  Ta  Ta198  1  0.737861  0.809812  0.602300  1
  Ta  Ta199  1  0.261652  0.849308  0.584102  1
  Ta  Ta200  1  0.264503  0.413110  0.626967  1
  Ta  Ta201  1  0.133762  0.122931  0.610108  1
  Ta  Ta202  1  0.133246  0.559704  0.563610  1
  Ta  Ta203  1  0.965219  0.089136  0.551797  1
  Ta  Ta204  1  0.964571  0.651264  0.596437  1
  Ta  Ta205  1  0.037245  0.007294  0.587824  1
  Ta  Ta206  1  0.035850  0.570789  0.632864  1
  Ta  Ta207  1  0.871700  0.101284  0.619695  1
  Ta  Ta208  1  0.869786  0.537493  0.573503  1
  Ta  Ta209  1  0.367781  0.902533  0.633512  1
  Ta  Ta210  1  0.370977  0.341218  0.586042  1
  Ta  Ta211  1  0.633742  0.319568  0.595827  1
  Ta  Ta212  1  0.632975  0.755399  0.551885  1
  Ta  Ta213  1  0.465892  0.226414  0.563921  1
  Ta  Ta214  1  0.464276  0.787983  0.610722  1
  Ta  Ta215  1  0.536053  0.870102  0.574979  1
  Ta  Ta216  1  0.540048  0.433847  0.617709  1
  Ta  Ta217  1  0.100679  0.925017  0.624905  1
  Ta  Ta218  1  0.104808  0.362001  0.576846  1
  Ta  Ta219  1  0.400137  0.143803  0.600656  1
  Ta  Ta220  1  0.399134  0.580104  0.554552  1
  Ta  Ta221  1  0.604719  0.080112  0.629131  1
  Ta  Ta222  1  0.604077  0.517026  0.582078  1
  Ta  Ta223  1  0.899929  0.298848  0.605186  1
  Ta  Ta224  1  0.898867  0.734660  0.560517  1
  Ta  Ta225  1  0.315744  0.959294  0.572692  1
  Ta  Ta226  1  0.317717  0.523227  0.616235  1
  Ta  Ta227  1  0.185897  0.244195  0.594254  1
  Ta  Ta228  1  0.184617  0.678127  0.548772  1
  Ta  Ta229  1  0.817320  0.918985  0.591221  1
  Ta  Ta230  1  0.820936  0.482813  0.634805  1
  Ta  Ta231  1  0.686464  0.202467  0.612325  1
  Ta  Ta232  1  0.685817  0.636832  0.566683  1
  Ta  Ta233  1  0.186297  0.178494  0.549088  1
  Ta  Ta234  1  0.185030  0.740716  0.595007  1
  Ta  Ta235  1  0.686259  0.137330  0.567589  1
  Ta  Ta236  1  0.681842  0.700515  0.612937  1
  Ta  Ta237  1  0.317405  0.024317  0.618256  1
  Ta  Ta238  1  0.318373  0.460626  0.570403  1
  Ta  Ta239  1  0.813933  0.981845  0.637472  1
  Ta  Ta240  1  0.817143  0.419317  0.588660  1
  Ta  Ta241  1  0.004176  0.391965  0.635898  1
  Ta  Ta242  1  0.995597  0.956187  0.685304  1
  Ta  Ta243  1  0.501523  0.173863  0.659767  1
  Ta  Ta244  1  0.504284  0.731951  0.707316  1
  Ta  Ta245  1  0.065128  0.037416  0.647487  1
  Ta  Ta246  1  0.060713  0.590416  0.694948  1
  Ta  Ta247  1  0.242113  0.195447  0.650156  1
  Ta  Ta248  1  0.233667  0.755740  0.698744  1
  Ta  Ta249  1  0.763994  0.155494  0.667706  1
  Ta  Ta250  1  0.765229  0.720500  0.716835  1
  Ta  Ta251  1  0.939509  0.315943  0.675457  1
  Ta  Ta252  1  0.932795  0.868043  0.717602  1
  Ta  Ta253  1  0.437407  0.380634  0.714240  1
  Ta  Ta254  1  0.432650  0.814872  0.670801  1
  Ta  Ta255  1  0.573394  0.095696  0.700063  1
  Ta  Ta256  1  0.567527  0.529744  0.649052  1
  Ta  Ta257  1  0.741391  0.372296  0.645178  1
  Ta  Ta258  1  0.734035  0.938652  0.694754  1
  Ta  Ta259  1  0.259895  0.975638  0.674323  1
  Ta  Ta260  1  0.262625  0.534378  0.717270  1
  Ta  Ta261  1  0.135111  0.248063  0.697118  1
  Ta  Ta262  1  0.130828  0.681333  0.656578  1
  Ta  Ta263  1  0.966783  0.218709  0.642166  1
  Ta  Ta264  1  0.963931  0.773970  0.685335  1
  Ta  Ta265  1  0.041169  0.137708  0.678442  1
  Ta  Ta266  1  0.033765  0.684854  0.719202  1
  Ta  Ta267  1  0.865299  0.229839  0.707064  1
  Ta  Ta268  1  0.867622  0.661903  0.665584  1
  Ta  Ta269  1  0.382372  0.031051  0.717796  1
  Ta  Ta270  1  0.374259  0.465943  0.675010  1
  Ta  Ta271  1  0.636481  0.444581  0.685715  1
  Ta  Ta272  1  0.630368  0.882068  0.644071  1
  Ta  Ta273  1  0.466868  0.354648  0.654912  1
  Ta  Ta274  1  0.459192  0.910656  0.697895  1
  Ta  Ta275  1  0.535464  0.997866  0.664826  1
  Ta  Ta276  1  0.532475  0.552537  0.707094  1
  Ta  Ta277  1  0.110097  0.055111  0.709305  1
  Ta  Ta278  1  0.104981  0.487017  0.666101  1
  Ta  Ta279  1  0.401320  0.271467  0.688450  1
  Ta  Ta280  1  0.395979  0.705082  0.647187  1
  Ta  Ta281  1  0.601181  0.206778  0.713855  1
  Ta  Ta282  1  0.599302  0.640767  0.673290  1
  Ta  Ta283  1  0.902726  0.423579  0.691097  1
  Ta  Ta284  1  0.896859  0.861511  0.652412  1
  Ta  Ta285  1  0.321127  0.088094  0.664313  1
  Ta  Ta286  1  0.316094  0.649103  0.708300  1
  Ta  Ta287  1  0.191178  0.374420  0.686183  1
  Ta  Ta288  1  0.182299  0.803931  0.641663  1
  Ta  Ta289  1  0.822863  0.050732  0.681648  1
  Ta  Ta290  1  0.790095  0.616208  0.721949  1
  Ta  Ta291  1  0.678122  0.331556  0.703921  1
  Ta  Ta292  1  0.684315  0.761886  0.659794  1
  Ta  Ta293  1  0.186843  0.306773  0.640707  1
  Ta  Ta294  1  0.177333  0.870209  0.686246  1
  Ta  Ta295  1  0.683981  0.266830  0.658680  1
  Ta  Ta296  1  0.682589  0.830869  0.703435  1
  Ta  Ta297  1  0.317193  0.157092  0.708088  1
  Ta  Ta298  1  0.315319  0.585451  0.663395  1
  Ta  Ta299  1  0.842239  0.123892  0.724177  1
  Ta  Ta300  1  0.813841  0.542775  0.682281  1
