# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.07523056
_cell_length_b   15.07230753
_cell_length_c   49.02220016
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta252
_cell_volume   10598.3649906
_cell_formula_units_Z   252
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  0.949036  0.284416  0.293988  1
  Ta  Ta2  1  0.283385  0.950080  0.293989  1
  Ta  Ta3  1  0.205979  0.207015  0.333097  1
  Ta  Ta4  1  0.578413  0.245267  0.313794  1
  Ta  Ta5  1  0.911845  0.912863  0.313730  1
  Ta  Ta6  1  0.244249  0.579434  0.313794  1
  Ta  Ta7  1  0.615352  0.616384  0.293418  1
  Ta  Ta8  1  0.539368  0.872933  0.334395  1
  Ta  Ta9  1  0.871894  0.540408  0.334394  1
  Ta  Ta10  1  0.745110  0.078939  0.313721  1
  Ta  Ta11  1  0.077921  0.746127  0.313721  1
  Ta  Ta12  1  0.114398  0.115451  0.294683  1
  Ta  Ta13  1  0.371955  0.041635  0.333183  1
  Ta  Ta14  1  0.705639  0.706680  0.334385  1
  Ta  Ta15  1  0.040598  0.372990  0.333180  1
  Ta  Ta16  1  0.411422  0.412444  0.313754  1
  Ta  Ta17  1  0.448621  0.782450  0.293286  1
  Ta  Ta18  1  0.781414  0.449657  0.293285  1
  Ta  Ta19  1  0.930756  0.099078  0.303472  1
  Ta  Ta20  1  0.263178  0.765344  0.303625  1
  Ta  Ta21  1  0.186156  0.020582  0.344259  1
  Ta  Ta22  1  0.558213  0.059005  0.322490  1
  Ta  Ta23  1  0.891845  0.726467  0.322731  1
  Ta  Ta24  1  0.226930  0.393627  0.323896  1
  Ta  Ta25  1  0.596469  0.430772  0.303760  1
  Ta  Ta26  1  0.633383  0.799616  0.284544  1
  Ta  Ta27  1  0.960788  0.471127  0.284727  1
  Ta  Ta28  1  0.764318  0.264199  0.303626  1
  Ta  Ta29  1  0.098065  0.931773  0.303472  1
  Ta  Ta30  1  0.019552  0.187183  0.344260  1
  Ta  Ta31  1  0.392610  0.227949  0.323896  1
  Ta  Ta32  1  0.725439  0.892871  0.322731  1
  Ta  Ta33  1  0.057981  0.559241  0.322490  1
  Ta  Ta34  1  0.429748  0.597494  0.303760  1
  Ta  Ta35  1  0.470062  0.961855  0.284726  1
  Ta  Ta36  1  0.798550  0.634449  0.284544  1
  Ta  Ta37  1  0.832741  0.166655  0.354504  1
  Ta  Ta38  1  0.165643  0.833754  0.354504  1
  Ta  Ta39  1  0.087361  0.088364  0.396385  1
  Ta  Ta40  1  0.460433  0.127607  0.374857  1
  Ta  Ta41  1  0.793570  0.794577  0.374997  1
  Ta  Ta42  1  0.126599  0.461438  0.374855  1
  Ta  Ta43  1  0.499044  0.500058  0.354640  1
  Ta  Ta44  1  0.420364  0.755183  0.396485  1
  Ta  Ta45  1  0.754180  0.421367  0.396485  1
  Ta  Ta46  1  0.627030  0.961170  0.374929  1
  Ta  Ta47  1  0.960164  0.628036  0.374928  1
  Ta  Ta48  1  0.999407  1.000418  0.354411  1
  Ta  Ta49  1  0.253796  0.921856  0.396423  1
  Ta  Ta50  1  0.587217  0.588220  0.396572  1
  Ta  Ta51  1  0.920852  0.254801  0.396423  1
  Ta  Ta52  1  0.293233  0.294239  0.374879  1
  Ta  Ta53  1  0.332120  0.667021  0.354536  1
  Ta  Ta54  1  0.666008  0.333134  0.354536  1
  Ta  Ta55  1  0.812888  0.980297  0.364537  1
  Ta  Ta56  1  0.145712  0.647133  0.364529  1
  Ta  Ta57  1  0.067435  0.901938  0.406730  1
  Ta  Ta58  1  0.439954  0.942029  0.385869  1
  Ta  Ta59  1  0.773755  0.607923  0.386258  1
  Ta  Ta60  1  0.107576  0.274632  0.385537  1
  Ta  Ta61  1  0.479758  0.313937  0.364806  1
  Ta  Ta62  1  0.518603  0.686334  0.344407  1
  Ta  Ta63  1  0.852735  0.353126  0.344277  1
  Ta  Ta64  1  0.646125  0.146721  0.364529  1
  Ta  Ta65  1  0.979289  0.813897  0.364537  1
  Ta  Ta66  1  0.900940  0.068432  0.406730  1
  Ta  Ta67  1  0.273623  0.108585  0.385538  1
  Ta  Ta68  1  0.606916  0.774762  0.386258  1
  Ta  Ta69  1  0.941021  0.440962  0.385868  1
  Ta  Ta70  1  0.312928  0.480766  0.364806  1
  Ta  Ta71  1  0.352101  0.853758  0.344278  1
  Ta  Ta72  1  0.685312  0.519626  0.344407  1
  Ta  Ta73  1  0.714718  0.048868  0.417052  1
  Ta  Ta74  1  0.047875  0.715711  0.417052  1
  Ta  Ta75  1  0.969286  0.970266  0.459056  1
  Ta  Ta76  1  0.341913  0.010051  0.438091  1
  Ta  Ta77  1  0.675436  0.676423  0.438366  1
  Ta  Ta78  1  0.009063  0.342902  0.438091  1
  Ta  Ta79  1  0.381241  0.382233  0.417104  1
  Ta  Ta80  1  0.302512  0.637006  0.459067  1
  Ta  Ta81  1  0.636026  0.303492  0.459067  1
  Ta  Ta82  1  0.508523  0.843353  0.438244  1
  Ta  Ta83  1  0.842366  0.509511  0.438244  1
  Ta  Ta84  1  0.881310  0.882303  0.417071  1
  Ta  Ta85  1  0.135865  0.803663  0.459047  1
  Ta  Ta86  1  0.469279  0.470259  0.459083  1
  Ta  Ta87  1  0.802683  0.136845  0.459047  1
  Ta  Ta88  1  0.175522  0.176511  0.438027  1
  Ta  Ta89  1  0.214462  0.549063  0.417074  1
  Ta  Ta90  1  0.548071  0.215456  0.417074  1
  Ta  Ta91  1  0.695172  0.862843  0.427574  1
  Ta  Ta92  1  0.028439  0.529479  0.427489  1
  Ta  Ta93  1  0.949686  0.784020  0.469500  1
  Ta  Ta94  1  0.322193  0.823445  0.448653  1
  Ta  Ta95  1  0.655768  0.489911  0.448710  1
  Ta  Ta96  1  0.989091  0.156604  0.448628  1
  Ta  Ta97  1  0.361828  0.196065  0.427422  1
  Ta  Ta98  1  0.400810  0.568669  0.406836  1
  Ta  Ta99  1  0.734277  0.234997  0.406747  1
  Ta  Ta100  1  0.528490  0.029428  0.427489  1
  Ta  Ta101  1  0.861854  0.696161  0.427573  1
  Ta  Ta102  1  0.783045  0.950661  0.469500  1
  Ta  Ta103  1  0.155620  0.990076  0.448628  1
  Ta  Ta104  1  0.488927  0.656752  0.448710  1
  Ta  Ta105  1  0.822461  0.323177  0.448653  1
  Ta  Ta106  1  0.195075  0.362818  0.427422  1
  Ta  Ta107  1  0.234000  0.735274  0.406747  1
  Ta  Ta108  1  0.567672  0.401807  0.406836  1
  Ta  Ta109  1  0.596772  0.931150  0.479966  1
  Ta  Ta110  1  0.930178  0.597744  0.479966  1
  Ta  Ta111  1  0.851416  0.852374  0.521928  1
  Ta  Ta112  1  0.224002  0.891755  0.500882  1
  Ta  Ta113  1  0.557370  0.558335  0.500933  1
  Ta  Ta114  1  0.890790  0.224967  0.500882  1
  Ta  Ta115  1  0.263471  0.264444  0.479870  1
  Ta  Ta116  1  0.184679  0.519005  0.521877  1
  Ta  Ta117  1  0.518046  0.185638  0.521877  1
  Ta  Ta118  1  0.390649  0.725062  0.500912  1
  Ta  Ta119  1  0.724097  0.391615  0.500912  1
  Ta  Ta120  1  0.763503  0.764475  0.480001  1
  Ta  Ta121  1  0.018050  0.685686  0.521915  1
  Ta  Ta122  1  0.351366  0.352326  0.521857  1
  Ta  Ta123  1  0.684728  0.019008  0.521915  1
  Ta  Ta124  1  0.057416  0.058381  0.500883  1
  Ta  Ta125  1  0.096826  0.431072  0.479904  1
  Ta  Ta126  1  0.430099  0.097798  0.479904  1
  Ta  Ta127  1  0.577059  0.744839  0.490523  1
  Ta  Ta128  1  0.910601  0.411311  0.490458  1
  Ta  Ta129  1  0.831865  0.666124  0.532354  1
  Ta  Ta130  1  0.204198  0.705375  0.511379  1
  Ta  Ta131  1  0.537694  0.371881  0.511376  1
  Ta  Ta132  1  0.871043  0.038581  0.511404  1
  Ta  Ta133  1  0.243763  0.078204  0.490413  1
  Ta  Ta134  1  0.282957  0.450671  0.469456  1
  Ta  Ta135  1  0.616385  0.117252  0.469473  1
  Ta  Ta136  1  0.410342  0.911570  0.490458  1
  Ta  Ta137  1  0.743870  0.578028  0.490523  1
  Ta  Ta138  1  0.665169  0.832820  0.532354  1
  Ta  Ta139  1  0.037619  0.872005  0.511404  1
  Ta  Ta140  1  0.370918  0.538656  0.511376  1
  Ta  Ta141  1  0.704413  0.205160  0.511379  1
  Ta  Ta142  1  0.077234  0.244733  0.490413  1
  Ta  Ta143  1  0.116276  0.617361  0.469473  1
  Ta  Ta144  1  0.449695  0.283933  0.469456  1
  Ta  Ta145  1  0.478806  0.813149  0.542750  1
  Ta  Ta146  1  0.812198  0.479757  0.542750  1
  Ta  Ta147  1  0.733572  0.734510  0.584688  1
  Ta  Ta148  1  0.105788  0.773782  0.563778  1
  Ta  Ta149  1  0.439300  0.440244  0.563678  1
  Ta  Ta150  1  0.772839  0.106732  0.563778  1
  Ta  Ta151  1  0.145566  0.146518  0.542743  1
  Ta  Ta152  1  0.066976  0.401138  0.584702  1
  Ta  Ta153  1  0.400199  0.067913  0.584702  1
  Ta  Ta154  1  0.272369  0.607164  0.563703  1
  Ta  Ta155  1  0.606220  0.273313  0.563703  1
  Ta  Ta156  1  0.645481  0.646432  0.542772  1
  Ta  Ta157  1  0.900257  0.567871  0.584680  1
  Ta  Ta158  1  0.233579  0.234517  0.584746  1
  Ta  Ta159  1  0.566933  0.901195  0.584680  1
  Ta  Ta160  1  0.939332  0.940276  0.563812  1
  Ta  Ta161  1  0.978937  0.313102  0.542729  1
  Ta  Ta162  1  0.312151  0.979888  0.542729  1
  Ta  Ta163  1  0.459003  0.626672  0.553167  1
  Ta  Ta164  1  0.792474  0.293294  0.553117  1
  Ta  Ta165  1  0.713798  0.548078  0.595001  1
  Ta  Ta166  1  0.086417  0.587345  0.574350  1
  Ta  Ta167  1  0.419682  0.253982  0.574311  1
  Ta  Ta168  1  0.753123  0.920709  0.574356  1
  Ta  Ta169  1  0.125801  0.960120  0.553115  1
  Ta  Ta170  1  0.165210  0.332757  0.532309  1
  Ta  Ta171  1  0.498462  0.999509  0.532332  1
  Ta  Ta172  1  0.292347  0.793421  0.553117  1
  Ta  Ta173  1  0.625726  0.459950  0.553167  1
  Ta  Ta174  1  0.547145  0.714731  0.595001  1
  Ta  Ta175  1  0.919767  0.754064  0.574356  1
  Ta  Ta176  1  0.253040  0.420624  0.574312  1
  Ta  Ta177  1  0.586403  0.087358  0.574350  1
  Ta  Ta178  1  0.959174  0.126748  0.553115  1
  Ta  Ta179  1  0.998554  0.499418  0.532332  1
  Ta  Ta180  1  0.331802  0.166166  0.532309  1
  Ta  Ta181  1  0.360505  0.695199  0.605346  1
  Ta  Ta182  1  0.694273  0.361432  0.605346  1
  Ta  Ta183  1  0.615481  0.616397  0.647285  1
  Ta  Ta184  1  0.988247  0.655992  0.626892  1
  Ta  Ta185  1  0.321247  0.322173  0.626927  1
  Ta  Ta186  1  0.655065  0.989172  0.626892  1
  Ta  Ta187  1  0.027593  0.028519  0.605248  1
  Ta  Ta188  1  0.948988  0.283220  0.647245  1
  Ta  Ta189  1  0.282302  0.949905  0.647244  1
  Ta  Ta190  1  0.154751  0.488899  0.626918  1
  Ta  Ta191  1  0.487971  0.155675  0.626917  1
  Ta  Ta192  1  0.527324  0.528252  0.605391  1
  Ta  Ta193  1  0.782340  0.449565  0.647193  1
  Ta  Ta194  1  0.115854  0.116772  0.647241  1
  Ta  Ta195  1  0.448648  0.783257  0.647193  1
  Ta  Ta196  1  0.821629  0.822554  0.626890  1
  Ta  Ta197  1  0.860953  0.195002  0.605298  1
  Ta  Ta198  1  0.194074  0.861879  0.605298  1
  Ta  Ta199  1  0.340415  0.509111  0.615907  1
  Ta  Ta200  1  0.674955  0.174508  0.616228  1
  Ta  Ta201  1  0.596198  0.429487  0.657499  1
  Ta  Ta202  1  0.968403  0.469512  0.636953  1
  Ta  Ta203  1  0.302403  0.136510  0.637243  1
  Ta  Ta204  1  0.635196  0.802750  0.636968  1
  Ta  Ta205  1  0.007360  0.842049  0.616382  1
  Ta  Ta206  1  0.047408  0.215010  0.595029  1
  Ta  Ta207  1  0.380533  0.881523  0.594958  1
  Ta  Ta208  1  0.173584  0.675878  0.616229  1
  Ta  Ta209  1  0.508186  0.341340  0.615906  1
  Ta  Ta210  1  0.428581  0.597103  0.657499  1
  Ta  Ta211  1  0.801828  0.636118  0.636968  1
  Ta  Ta212  1  0.135588  0.303327  0.637243  1
  Ta  Ta213  1  0.468589  0.969324  0.636952  1
  Ta  Ta214  1  0.841124  0.008285  0.616382  1
  Ta  Ta215  1  0.880590  0.381467  0.594959  1
  Ta  Ta216  1  0.214076  0.048342  0.595029  1
  Ta  Ta217  1  0.240213  0.578187  0.668450  1
  Ta  Ta218  1  0.577288  0.241108  0.668446  1
  Ta  Ta219  1  0.500248  0.501139  0.708558  1
  Ta  Ta220  1  0.869930  0.537673  0.687925  1
  Ta  Ta221  1  0.204203  0.205118  0.687951  1
  Ta  Ta222  1  0.536765  0.870838  0.687925  1
  Ta  Ta223  1  0.909034  0.909934  0.668788  1
  Ta  Ta224  1  0.835760  0.167153  0.706995  1
  Ta  Ta225  1  0.166278  0.836638  0.706995  1
  Ta  Ta226  1  0.036870  0.371595  0.687898  1
  Ta  Ta227  1  0.370683  0.037781  0.687898  1
  Ta  Ta228  1  0.409315  0.410208  0.667306  1
  Ta  Ta229  1  0.666089  0.333033  0.707704  1
  Ta  Ta230  1  1.001386  1.002262  0.707001  1
  Ta  Ta231  1  0.332151  0.666986  0.707706  1
  Ta  Ta232  1  0.703330  0.704238  0.687891  1
  Ta  Ta233  1  0.743826  0.075152  0.668702  1
  Ta  Ta234  1  0.074252  0.744726  0.668703  1
  Ta  Ta235  1  0.223351  0.391588  0.679262  1
  Ta  Ta236  1  0.556203  0.055051  0.677842  1
  Ta  Ta237  1  0.480597  0.320153  0.717003  1
  Ta  Ta238  1  0.850586  0.351716  0.698221  1
  Ta  Ta239  1  0.185116  0.019362  0.698232  1
  Ta  Ta240  1  0.517253  0.686089  0.698124  1
  Ta  Ta241  1  0.888673  0.723401  0.677849  1
  Ta  Ta242  1  0.929046  0.096052  0.657203  1
  Ta  Ta243  1  0.261514  0.763544  0.657471  1
  Ta  Ta244  1  0.054137  0.557121  0.677842  1
  Ta  Ta245  1  0.390677  0.224258  0.679262  1
  Ta  Ta246  1  0.319295  0.481462  0.717003  1
  Ta  Ta247  1  0.685181  0.518156  0.698124  1
  Ta  Ta248  1  0.018447  0.186028  0.698233  1
  Ta  Ta249  1  0.350806  0.851505  0.698221  1
  Ta  Ta250  1  0.722485  0.889587  0.677849  1
  Ta  Ta251  1  0.762642  0.262414  0.657472  1
  Ta  Ta252  1  0.095155  0.929942  0.657203  1
