# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51492832
_cell_length_b   24.12216475
_cell_length_c   51.12102910
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93379682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   12966.4740083
_cell_formula_units_Z   330
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  0.265290  0.187547  0.362777  1
  Ta  Ta2  1  0.264338  0.506859  0.334591  1
  Ta  Ta3  1  0.288007  0.826520  0.299253  1
  Ta  Ta4  1  0.743424  0.326533  0.299259  1
  Ta  Ta5  1  0.766080  0.687497  0.362764  1
  Ta  Ta6  1  0.766914  0.006907  0.334550  1
  Ta  Ta7  1  0.563525  0.202359  0.357855  1
  Ta  Ta8  1  0.583984  0.524413  0.333201  1
  Ta  Ta9  1  0.576933  0.851070  0.302433  1
  Ta  Ta10  1  0.120911  0.101581  0.279166  1
  Ta  Ta11  1  0.016741  0.468077  0.338143  1
  Ta  Ta12  1  1.008574  0.799368  0.301699  1
  Ta  Ta13  1  0.554867  0.238840  0.307162  1
  Ta  Ta14  1  0.628980  0.563441  0.284328  1
  Ta  Ta15  1  0.586960  0.924233  0.341601  1
  Ta  Ta16  1  0.937010  0.404317  0.295900  1
  Ta  Ta17  1  0.947036  0.763535  0.352953  1
  Ta  Ta18  1  0.944122  0.085766  0.325074  1
  Ta  Ta19  1  0.084326  0.263538  0.352958  1
  Ta  Ta20  1  0.087590  0.585850  0.325059  1
  Ta  Ta21  1  0.094374  0.904325  0.295831  1
  Ta  Ta22  1  0.444368  0.424198  0.341611  1
  Ta  Ta23  1  0.476822  0.738933  0.307183  1
  Ta  Ta24  1  0.401845  0.063439  0.284333  1
  Ta  Ta25  1  0.022813  0.299344  0.301703  1
  Ta  Ta26  1  0.909889  0.601574  0.279195  1
  Ta  Ta27  1  1.014446  0.967983  0.338123  1
  Ta  Ta28  1  0.454487  0.351021  0.302416  1
  Ta  Ta29  1  0.467761  0.702363  0.357846  1
  Ta  Ta30  1  0.447106  0.024386  0.333190  1
  Ta  Ta31  1  0.754418  0.436308  0.341202  1
  Ta  Ta32  1  0.761312  0.769310  0.309179  1
  Ta  Ta33  1  0.821277  0.115585  0.284826  1
  Ta  Ta34  1  0.822433  0.241634  0.376662  1
  Ta  Ta35  1  0.831634  0.579965  0.333680  1
  Ta  Ta36  1  0.817221  0.902103  0.299486  1
  Ta  Ta37  1  0.630527  0.434370  0.294540  1
  Ta  Ta38  1  0.640100  0.789730  0.353174  1
  Ta  Ta39  1  0.622827  0.110729  0.320139  1
  Ta  Ta40  1  0.822137  0.214334  0.325299  1
  Ta  Ta41  1  0.838051  0.504030  0.298268  1
  Ta  Ta42  1  0.844845  0.868342  0.347320  1
  Ta  Ta43  1  0.186116  0.368385  0.347337  1
  Ta  Ta44  1  0.209254  0.714320  0.325269  1
  Ta  Ta45  1  0.192786  0.004042  0.298292  1
  Ta  Ta46  1  0.391240  0.289797  0.353163  1
  Ta  Ta47  1  0.408230  0.610826  0.320094  1
  Ta  Ta48  1  0.400609  0.934382  0.294512  1
  Ta  Ta49  1  0.214175  0.402101  0.299511  1
  Ta  Ta50  1  0.208956  0.741662  0.376650  1
  Ta  Ta51  1  0.200055  0.080057  0.333653  1
  Ta  Ta52  1  0.270148  0.269340  0.309190  1
  Ta  Ta53  1  0.209556  0.615455  0.284705  1
  Ta  Ta54  1  0.276878  0.936266  0.341185  1
  Ta  Ta55  1  0.903691  0.344631  0.345047  1
  Ta  Ta56  1  0.950217  0.683538  0.312797  1
  Ta  Ta57  1  0.928765  0.005745  0.285672  1
  Ta  Ta58  1  0.632403  0.325189  0.346901  1
  Ta  Ta59  1  0.663056  0.655980  0.315837  1
  Ta  Ta60  1  0.638117  -0.002980  0.290449  1
  Ta  Ta61  1  0.368350  0.156096  0.315843  1
  Ta  Ta62  1  0.392814  0.497100  0.290461  1
  Ta  Ta63  1  0.398945  0.825234  0.346899  1
  Ta  Ta64  1  0.081194  0.183555  0.312815  1
  Ta  Ta65  1  0.102089  0.505726  0.285720  1
  Ta  Ta66  1  0.127499  0.844652  0.345028  1
  Ta  Ta67  1  0.263720  0.222647  0.455946  1
  Ta  Ta68  1  0.269375  0.546575  0.425452  1
  Ta  Ta69  1  0.282179  0.864293  0.392791  1
  Ta  Ta70  1  0.749123  0.364288  0.392797  1
  Ta  Ta71  1  0.767707  0.722653  0.455937  1
  Ta  Ta72  1  0.761926  0.046565  0.425436  1
  Ta  Ta73  1  0.566357  0.244971  0.453371  1
  Ta  Ta74  1  0.585086  0.566400  0.423530  1
  Ta  Ta75  1  0.585035  0.883012  0.392305  1
  Ta  Ta76  1  0.021679  0.150909  0.365762  1
  Ta  Ta77  1  1.014800  0.513471  0.428824  1
  Ta  Ta78  1  1.012663  0.836554  0.395759  1
  Ta  Ta79  1  0.565218  0.281221  0.400505  1
  Ta  Ta80  1  0.589693  0.604646  0.371166  1
  Ta  Ta81  1  0.586850  0.962260  0.433329  1
  Ta  Ta82  1  0.938323  0.440480  0.388012  1
  Ta  Ta83  1  0.942487  0.804973  0.448180  1
  Ta  Ta84  1  0.904356  0.139228  0.414887  1
  Ta  Ta85  1  0.088905  0.304946  0.448182  1
  Ta  Ta86  1  0.127196  0.639282  0.414886  1
  Ta  Ta87  1  0.093049  0.940510  0.388009  1
  Ta  Ta88  1  0.444511  0.462255  0.433358  1
  Ta  Ta89  1  0.466190  0.781226  0.400497  1
  Ta  Ta90  1  0.441539  0.104661  0.371181  1
  Ta  Ta91  1  0.018584  0.336495  0.395771  1
  Ta  Ta92  1  1.009827  0.650973  0.365750  1
  Ta  Ta93  1  0.016548  0.013466  0.428814  1
  Ta  Ta94  1  0.446248  0.383027  0.392324  1
  Ta  Ta95  1  0.465034  0.744988  0.453365  1
  Ta  Ta96  1  0.446231  0.066395  0.423526  1
  Ta  Ta97  1  0.758703  0.480283  0.432278  1
  Ta  Ta98  1  0.768997  0.805086  0.399909  1
  Ta  Ta99  1  0.755289  0.120859  0.365821  1
  Ta  Ta100  1  0.825399  0.284751  0.474184  1
  Ta  Ta101  1  0.846908  0.618726  0.417677  1
  Ta  Ta102  1  0.816164  0.943579  0.387797  1
  Ta  Ta103  1  0.622236  0.466291  0.386519  1
  Ta  Ta104  1  0.642093  0.828008  0.446091  1
  Ta  Ta105  1  0.633108  0.157055  0.412021  1
  Ta  Ta106  1  0.823619  0.262447  0.426054  1
  Ta  Ta107  1  0.816547  0.539673  0.380204  1
  Ta  Ta108  1  0.846253  0.910527  0.438710  1
  Ta  Ta109  1  0.184883  0.410523  0.438720  1
  Ta  Ta110  1  0.207764  0.762474  0.426045  1
  Ta  Ta111  1  0.214447  0.039676  0.380163  1
  Ta  Ta112  1  0.389271  0.328043  0.446092  1
  Ta  Ta113  1  0.398315  0.657095  0.412020  1
  Ta  Ta114  1  0.409068  0.966326  0.386491  1
  Ta  Ta115  1  0.215116  0.443590  0.387816  1
  Ta  Ta116  1  0.206037  0.784782  0.474180  1
  Ta  Ta117  1  0.184766  0.118718  0.417673  1
  Ta  Ta118  1  0.262359  0.305092  0.399913  1
  Ta  Ta119  1  0.276158  0.620828  0.365847  1
  Ta  Ta120  1  0.272686  0.980291  0.432266  1
  Ta  Ta121  1  0.905418  0.387828  0.440112  1
  Ta  Ta122  1  0.944225  0.723492  0.406841  1
  Ta  Ta123  1  0.943666  0.044755  0.378457  1
  Ta  Ta124  1  0.632141  0.368894  0.441189  1
  Ta  Ta125  1  0.641427  0.699488  0.409711  1
  Ta  Ta126  1  0.627910  0.024450  0.380090  1
  Ta  Ta127  1  0.390017  0.199542  0.409719  1
  Ta  Ta128  1  0.403350  0.524402  0.380124  1
  Ta  Ta129  1  0.399199  0.868913  0.441175  1
  Ta  Ta130  1  0.087182  0.223473  0.406847  1
  Ta  Ta131  1  0.087411  0.544826  0.378472  1
  Ta  Ta132  1  0.125824  0.887874  0.440108  1
  Ta  Ta133  1  0.271018  0.265334  0.549078  1
  Ta  Ta134  1  0.268015  0.587513  0.517003  1
  Ta  Ta135  1  0.280508  0.908097  0.486830  1
  Ta  Ta136  1  0.750886  0.408103  0.486834  1
  Ta  Ta137  1  0.760506  0.765376  0.549063  1
  Ta  Ta138  1  0.763412  0.087533  0.516981  1
  Ta  Ta139  1  0.571448  0.289170  0.547657  1
  Ta  Ta140  1  0.581366  0.608741  0.515495  1
  Ta  Ta141  1  0.580594  0.924892  0.484387  1
  Ta  Ta142  1  0.020591  0.190112  0.458949  1
  Ta  Ta143  1  1.012113  0.556724  0.519422  1
  Ta  Ta144  1  1.009229  0.880749  0.490124  1
  Ta  Ta145  1  0.567672  0.324451  0.494910  1
  Ta  Ta146  1  0.582559  0.644810  0.463659  1
  Ta  Ta147  1  0.580691  0.003467  0.524248  1
  Ta  Ta148  1  0.935344  0.484753  0.479131  1
  Ta  Ta149  1  0.938868  0.847709  0.542061  1
  Ta  Ta150  1  0.908212  0.181214  0.508553  1
  Ta  Ta151  1  0.092632  0.347664  0.542058  1
  Ta  Ta152  1  0.123432  0.681257  0.508554  1
  Ta  Ta153  1  0.096194  0.984804  0.479133  1
  Ta  Ta154  1  0.450807  0.503496  0.524270  1
  Ta  Ta155  1  0.463827  0.824461  0.494905  1
  Ta  Ta156  1  0.448888  0.144814  0.463671  1
  Ta  Ta157  1  0.022134  0.380684  0.490120  1
  Ta  Ta158  1  1.010925  0.690177  0.458946  1
  Ta  Ta159  1  0.019416  0.056760  0.519409  1
  Ta  Ta160  1  0.450736  0.424914  0.484421  1
  Ta  Ta161  1  0.460028  0.789186  0.547646  1
  Ta  Ta162  1  0.450145  0.108733  0.515506  1
  Ta  Ta163  1  0.757826  0.524248  0.523419  1
  Ta  Ta164  1  0.766836  0.848367  0.493127  1
  Ta  Ta165  1  0.750167  0.161418  0.461500  1
  Ta  Ta166  1  0.831098  0.331605  0.570550  1
  Ta  Ta167  1  0.843449  0.659878  0.510199  1
  Ta  Ta168  1  0.818818  0.983537  0.480686  1
  Ta  Ta169  1  0.626772  0.509318  0.477001  1
  Ta  Ta170  1  0.637507  0.871399  0.538596  1
  Ta  Ta171  1  0.636023  0.200497  0.507148  1
  Ta  Ta172  1  0.829040  0.307088  0.522119  1
  Ta  Ta173  1  0.817184  0.586239  0.469185  1
  Ta  Ta174  1  0.844217  0.956430  0.534497  1
  Ta  Ta175  1  0.187200  0.456347  0.534455  1
  Ta  Ta176  1  0.202443  0.807115  0.522117  1
  Ta  Ta177  1  0.214169  0.086245  0.469183  1
  Ta  Ta178  1  0.393983  0.371395  0.538586  1
  Ta  Ta179  1  0.395503  0.700509  0.507144  1
  Ta  Ta180  1  0.404669  0.009322  0.476991  1
  Ta  Ta181  1  0.212642  0.483550  0.480678  1
  Ta  Ta182  1  0.200466  0.831634  0.570555  1
  Ta  Ta183  1  0.188353  0.159888  0.510203  1
  Ta  Ta184  1  0.264605  0.348340  0.493128  1
  Ta  Ta185  1  0.281289  0.661422  0.461503  1
  Ta  Ta186  1  0.273722  0.024264  0.523424  1
  Ta  Ta187  1  0.909361  0.432252  0.533563  1
  Ta  Ta188  1  0.939899  0.765482  0.500866  1
  Ta  Ta189  1  0.937585  0.085193  0.469015  1
  Ta  Ta190  1  0.635626  0.412424  0.535379  1
  Ta  Ta191  1  0.639169  0.741629  0.502718  1
  Ta  Ta192  1  0.628285  0.061024  0.471670  1
  Ta  Ta193  1  0.392366  0.241674  0.502722  1
  Ta  Ta194  1  0.403084  0.561041  0.471684  1
  Ta  Ta195  1  0.395842  0.912448  0.535368  1
  Ta  Ta196  1  0.091580  0.265452  0.500869  1
  Ta  Ta197  1  0.093688  0.585256  0.469030  1
  Ta  Ta198  1  0.122038  0.932306  0.533564  1
  Ta  Ta199  1  0.265388  0.299495  0.644455  1
  Ta  Ta200  1  0.272059  0.638817  0.609022  1
  Ta  Ta201  1  0.280408  0.955851  0.579886  1
  Ta  Ta202  1  0.751142  0.455797  0.579890  1
  Ta  Ta203  1  0.766121  0.799616  0.644411  1
  Ta  Ta204  1  0.759397  0.138876  0.609026  1
  Ta  Ta205  1  0.602212  0.325930  0.642546  1
  Ta  Ta206  1  0.573289  0.648777  0.608447  1
  Ta  Ta207  1  0.594344  0.966114  0.576059  1
  Ta  Ta208  1  0.028199  0.231226  0.553190  1
  Ta  Ta209  1  0.993560  0.613849  0.611397  1
  Ta  Ta210  1  1.012693  0.918348  0.585298  1
  Ta  Ta211  1  0.584941  0.368338  0.590183  1
  Ta  Ta212  1  0.573483  0.687021  0.557054  1
  Ta  Ta213  1  0.596397  0.053402  0.615355  1
  Ta  Ta214  1  0.931068  0.529439  0.569191  1
  Ta  Ta215  1  0.949658  0.880296  0.636611  1
  Ta  Ta216  1  0.925089  0.218038  0.603334  1
  Ta  Ta217  1  0.082130  0.380313  0.636611  1
  Ta  Ta218  1  0.106509  0.718050  0.603335  1
  Ta  Ta219  1  0.100493  0.029515  0.569193  1
  Ta  Ta220  1  0.435348  0.553413  0.615337  1
  Ta  Ta221  1  0.446597  0.868345  0.590181  1
  Ta  Ta222  1  0.458199  0.187000  0.557070  1
  Ta  Ta223  1  0.018914  0.418333  0.585284  1
  Ta  Ta224  1  1.003368  0.731281  0.553179  1
  Ta  Ta225  1  0.037980  0.113885  0.611405  1
  Ta  Ta226  1  0.437223  0.466109  0.576049  1
  Ta  Ta227  1  0.429674  0.825829  0.642553  1
  Ta  Ta228  1  0.458369  0.148806  0.608461  1
  Ta  Ta229  1  0.756445  0.561764  0.616254  1
  Ta  Ta230  1  0.761182  0.881023  0.585318  1
  Ta  Ta231  1  0.758282  0.205965  0.555321  1
  Ta  Ta232  1  0.802250  0.420370  0.628847  1
  Ta  Ta233  1  0.813205  0.703012  0.602899  1
  Ta  Ta234  1  0.839807  0.028299  0.581152  1
  Ta  Ta235  1  0.618615  0.551156  0.569085  1
  Ta  Ta236  1  0.624201  0.887408  0.633998  1
  Ta  Ta237  1  0.645520  0.243788  0.600308  1
  Ta  Ta238  1  0.850276  0.318165  0.619442  1
  Ta  Ta239  1  0.808817  0.629155  0.561352  1
  Ta  Ta240  1  0.780719  0.962850  0.622951  1
  Ta  Ta241  1  0.251040  0.462900  0.622919  1
  Ta  Ta242  1  0.181415  0.818099  0.619448  1
  Ta  Ta243  1  0.222675  0.129176  0.561364  1
  Ta  Ta244  1  0.407104  0.387206  0.634022  1
  Ta  Ta245  1  0.386166  0.743698  0.600296  1
  Ta  Ta246  1  0.412978  0.051168  0.569100  1
  Ta  Ta247  1  0.191881  0.528300  0.581088  1
  Ta  Ta248  1  0.229699  0.920255  0.628859  1
  Ta  Ta249  1  0.218516  0.202988  0.602925  1
  Ta  Ta250  1  0.270370  0.381027  0.585297  1
  Ta  Ta251  1  0.273224  0.705986  0.555324  1
  Ta  Ta252  1  0.275143  0.061884  0.616255  1
  Ta  Ta253  1  0.978082  0.498077  0.621956  1
  Ta  Ta254  1  0.931958  0.802340  0.595527  1
  Ta  Ta255  1  0.938195  0.125878  0.560264  1
  Ta  Ta256  1  0.579490  0.468651  0.625570  1
  Ta  Ta257  1  0.625910  0.783216  0.596480  1
  Ta  Ta258  1  0.638768  0.101603  0.562700  1
  Ta  Ta259  1  0.405644  0.283202  0.596487  1
  Ta  Ta260  1  0.392839  0.601726  0.562699  1
  Ta  Ta261  1  0.451866  0.968862  0.625541  1
  Ta  Ta262  1  0.099638  0.302328  0.595531  1
  Ta  Ta263  1  0.093182  0.625924  0.560260  1
  Ta  Ta264  1  0.053821  -0.001924  0.621962  1
  Ta  Ta265  1  0.288002  0.354810  0.730026  1
  Ta  Ta266  1  0.272275  0.672501  0.706284  1
  Ta  Ta267  1  0.271312  -0.008861  0.669903  1
  Ta  Ta268  1  0.760277  0.491113  0.669915  1
  Ta  Ta269  1  0.743899  0.854790  0.730013  1
  Ta  Ta270  1  0.759286  0.172546  0.706287  1
  Ta  Ta271  1  0.563311  0.382006  0.731571  1
  Ta  Ta272  1  0.544037  0.694845  0.695853  1
  Ta  Ta273  1  0.596235  0.006768  0.668821  1
  Ta  Ta274  1  0.034538  0.257202  0.651669  1
  Ta  Ta275  1  0.990442  0.650330  0.705816  1
  Ta  Ta276  1  1.014912  0.959301  0.673562  1
  Ta  Ta277  1  0.584369  0.410214  0.680035  1
  Ta  Ta278  1  0.569541  0.726931  0.647957  1
  Ta  Ta279  1  0.572600  0.085395  0.711068  1
  Ta  Ta280  1  0.929772  0.572259  0.666013  1
  Ta  Ta281  1  0.921558  0.944506  0.724887  1
  Ta  Ta282  1  0.927286  0.260263  0.701778  1
  Ta  Ta283  1  0.110136  0.444521  0.724903  1
  Ta  Ta284  1  0.104314  0.760195  0.701767  1
  Ta  Ta285  1  0.101809  0.072301  0.666020  1
  Ta  Ta286  1  0.459017  0.585380  0.711053  1
  Ta  Ta287  1  0.447254  0.910216  0.680014  1
  Ta  Ta288  1  0.462329  0.227005  0.647952  1
  Ta  Ta289  1  0.016709  0.459302  0.673575  1
  Ta  Ta290  1  0.997075  0.757243  0.651652  1
  Ta  Ta291  1  0.041096  0.150406  0.705808  1
  Ta  Ta292  1  0.435370  0.506762  0.668822  1
  Ta  Ta293  1  0.468480  0.882017  0.731554  1
  Ta  Ta294  1  0.487435  0.194859  0.695866  1
  Ta  Ta295  1  0.740114  0.612365  0.706153  1
  Ta  Ta296  1  0.762759  0.923526  0.677857  1
  Ta  Ta297  1  0.747161  0.234843  0.655274  1
  Ta  Ta298  1  0.834862  0.404855  0.714070  1
  Ta  Ta299  1  0.806110  0.741051  0.697119  1
  Ta  Ta300  1  0.845985  0.051762  0.645274  1
  Ta  Ta301  1  0.617890  0.588201  0.661456  1
  Ta  Ta302  1  0.646799  0.965641  0.720446  1
  Ta  Ta303  1  0.662187  0.293849  0.699644  1
  Ta  Ta304  1  0.847613  0.352067  0.669965  1
  Ta  Ta305  1  0.804966  0.668392  0.655014  1
  Ta  Ta306  1  0.842192  0.052279  0.697889  1
  Ta  Ta307  1  0.189375  0.552265  0.697894  1
  Ta  Ta308  1  0.184047  0.852019  0.669970  1
  Ta  Ta309  1  0.226614  0.168404  0.655039  1
  Ta  Ta310  1  0.384843  0.465668  0.720454  1
  Ta  Ta311  1  0.369492  0.793831  0.699639  1
  Ta  Ta312  1  0.413740  0.088223  0.661464  1
  Ta  Ta313  1  0.185653  0.551771  0.645282  1
  Ta  Ta314  1  0.196922  0.904919  0.714049  1
  Ta  Ta315  1  0.225587  0.241079  0.697166  1
  Ta  Ta316  1  0.268884  0.423570  0.677866  1
  Ta  Ta317  1  0.284515  0.734792  0.655268  1
  Ta  Ta318  1  0.291418  0.112355  0.706171  1
  Ta  Ta319  1  0.918100  0.526200  0.716723  1
  Ta  Ta320  1  0.933535  0.845271  0.691993  1
  Ta  Ta321  1  0.923315  0.156406  0.659654  1
  Ta  Ta322  1  0.639565  0.500610  0.715477  1
  Ta  Ta323  1  0.617535  0.822441  0.687674  1
  Ta  Ta324  1  0.650396  0.128103  0.660314  1
  Ta  Ta325  1  0.414178  0.322441  0.687673  1
  Ta  Ta326  1  0.381175  0.628076  0.660297  1
  Ta  Ta327  1  0.392063  0.000650  0.715456  1
  Ta  Ta328  1  0.098186  0.345288  0.692006  1
  Ta  Ta329  1  0.108171  0.656425  0.659660  1
  Ta  Ta330  1  0.113409  0.026225  0.716720  1
