# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71180255
_cell_length_b   32.62142703
_cell_length_c   52.56835197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06688912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta330
_cell_volume   13224.6115045
_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  0.987448  0.598113  0.287194  1
  Ta  Ta2  1  0.007775  0.250985  0.346326  1
  Ta  Ta3  1  0.015371  0.923352  0.316835  1
  Ta  Ta4  1  0.487969  0.423345  0.316835  1
  Ta  Ta5  1  0.515743  0.098123  0.287193  1
  Ta  Ta6  1  0.495559  0.750961  0.346313  1
  Ta  Ta7  1  0.719831  0.539599  0.281951  1
  Ta  Ta8  1  0.754794  0.192418  0.341479  1
  Ta  Ta9  1  0.750044  0.867163  0.310643  1
  Ta  Ta10  1  0.248777  0.312400  0.352111  1
  Ta  Ta11  1  0.266126  0.984980  0.324596  1
  Ta  Ta12  1  0.250922  0.658179  0.294577  1
  Ta  Ta13  1  0.410829  0.337145  0.307022  1
  Ta  Ta14  1  0.448666  0.004213  0.279377  1
  Ta  Ta15  1  0.422477  0.662229  0.339489  1
  Ta  Ta16  1  0.567708  0.511416  0.323755  1
  Ta  Ta17  1  0.593689  0.190079  0.293620  1
  Ta  Ta18  1  0.592694  0.836209  0.352785  1
  Ta  Ta19  1  0.910912  0.336255  0.352793  1
  Ta  Ta20  1  0.935564  0.011439  0.323769  1
  Ta  Ta21  1  0.909771  0.690081  0.293630  1
  Ta  Ta22  1  0.054486  0.504220  0.279377  1
  Ta  Ta23  1  0.080870  0.162243  0.339500  1
  Ta  Ta24  1  0.092529  0.837147  0.307048  1
  Ta  Ta25  1  0.236971  0.484931  0.324602  1
  Ta  Ta26  1  0.252386  0.158172  0.294591  1
  Ta  Ta27  1  0.254718  0.812408  0.352106  1
  Ta  Ta28  1  0.753357  0.367161  0.310668  1
  Ta  Ta29  1  0.783364  0.039648  0.281989  1
  Ta  Ta30  1  0.748653  0.692425  0.341492  1
  Ta  Ta31  1  0.348089  0.562966  0.287659  1
  Ta  Ta32  1  0.396288  0.213516  0.344677  1
  Ta  Ta33  1  0.401840  0.893880  0.314424  1
  Ta  Ta34  1  0.597925  0.285716  0.352351  1
  Ta  Ta35  1  0.638387  0.961786  0.325656  1
  Ta  Ta36  1  0.623010  0.631998  0.293901  1
  Ta  Ta37  1  0.702325  0.272908  0.305747  1
  Ta  Ta38  1  0.745611  0.947527  0.279624  1
  Ta  Ta39  1  0.679792  0.589106  0.335213  1
  Ta  Ta40  1  0.299004  0.584607  0.335004  1
  Ta  Ta41  1  0.319745  0.253596  0.302630  1
  Ta  Ta42  1  0.310598  0.909120  0.362578  1
  Ta  Ta43  1  0.192589  0.409122  0.362546  1
  Ta  Ta44  1  0.204197  0.084639  0.334988  1
  Ta  Ta45  1  0.183633  0.753617  0.302596  1
  Ta  Ta46  1  0.757207  0.447496  0.279581  1
  Ta  Ta47  1  0.823571  0.089110  0.335212  1
  Ta  Ta48  1  0.801121  0.772915  0.305717  1
  Ta  Ta49  1  0.864649  0.461749  0.325614  1
  Ta  Ta50  1  0.880255  0.132013  0.293889  1
  Ta  Ta51  1  0.905492  0.785691  0.352328  1
  Ta  Ta52  1  0.101576  0.393974  0.314358  1
  Ta  Ta53  1  0.155169  0.063010  0.287635  1
  Ta  Ta54  1  0.107282  0.713533  0.344664  1
  Ta  Ta55  1  0.417050  0.480771  0.276243  1
  Ta  Ta56  1  0.496053  0.133518  0.335006  1
  Ta  Ta57  1  0.460900  0.808804  0.303383  1
  Ta  Ta58  1  0.530190  0.367782  0.357423  1
  Ta  Ta59  1  0.531919  0.042710  0.326696  1
  Ta  Ta60  1  0.530116  0.717014  0.296185  1
  Ta  Ta61  1  0.971263  0.542686  0.326687  1
  Ta  Ta62  1  0.973406  0.217035  0.296189  1
  Ta  Ta63  1  0.973155  0.867768  0.357415  1
  Ta  Ta64  1  0.042644  0.308842  0.303398  1
  Ta  Ta65  1  0.085891  0.980825  0.276238  1
  Ta  Ta66  1  0.007335  0.633518  0.335009  1
  Ta  Ta67  1  0.996025  0.577184  0.378039  1
  Ta  Ta68  1  0.003937  0.229447  0.438622  1
  Ta  Ta69  1  1.001508  0.902759  0.408317  1
  Ta  Ta70  1  0.501835  0.402769  0.408316  1
  Ta  Ta71  1  0.507336  0.077195  0.378043  1
  Ta  Ta72  1  0.499489  0.729453  0.438620  1
  Ta  Ta73  1  0.748801  0.517202  0.372299  1
  Ta  Ta74  1  0.754815  0.169014  0.433229  1
  Ta  Ta75  1  0.752125  0.842161  0.402269  1
  Ta  Ta76  1  0.251890  0.289702  0.444265  1
  Ta  Ta77  1  0.249459  0.963025  0.413849  1
  Ta  Ta78  1  0.244365  0.637330  0.383159  1
  Ta  Ta79  1  0.418555  0.314442  0.400109  1
  Ta  Ta80  1  0.425506  0.988019  0.370911  1
  Ta  Ta81  1  0.417426  0.640239  0.430565  1
  Ta  Ta82  1  0.581829  0.492241  0.416889  1
  Ta  Ta83  1  0.587595  0.166246  0.386199  1
  Ta  Ta84  1  0.581487  0.818546  0.446801  1
  Ta  Ta85  1  0.921993  0.318514  0.446802  1
  Ta  Ta86  1  0.921542  0.992213  0.416897  1
  Ta  Ta87  1  0.915831  0.666229  0.386201  1
  Ta  Ta88  1  0.077515  0.487985  0.370904  1
  Ta  Ta89  1  0.085940  0.140251  0.430572  1
  Ta  Ta90  1  0.084774  0.814431  0.400104  1
  Ta  Ta91  1  0.253815  0.463014  0.413843  1
  Ta  Ta92  1  0.258946  0.137310  0.383167  1
  Ta  Ta93  1  0.251518  0.789692  0.444260  1
  Ta  Ta94  1  0.751306  0.342179  0.402277  1
  Ta  Ta95  1  0.754420  0.017192  0.372311  1
  Ta  Ta96  1  0.748622  0.669030  0.433230  1
  Ta  Ta97  1  0.392803  0.539489  0.375195  1
  Ta  Ta98  1  0.396624  0.193389  0.435292  1
  Ta  Ta99  1  0.396988  0.867017  0.404756  1
  Ta  Ta100  1  0.610083  0.265510  0.442231  1
  Ta  Ta101  1  0.609094  0.939487  0.412818  1
  Ta  Ta102  1  0.602358  0.613344  0.382427  1
  Ta  Ta103  1  0.695972  0.244843  0.394240  1
  Ta  Ta104  1  0.687287  0.914425  0.365843  1
  Ta  Ta105  1  0.689985  0.571151  0.424532  1
  Ta  Ta106  1  0.309449  0.561232  0.423247  1
  Ta  Ta107  1  0.314351  0.235490  0.392654  1
  Ta  Ta108  1  0.311756  0.887251  0.453279  1
  Ta  Ta109  1  0.191579  0.387288  0.453283  1
  Ta  Ta110  1  0.193845  0.061250  0.423253  1
  Ta  Ta111  1  0.188963  0.735502  0.392649  1
  Ta  Ta112  1  0.816157  0.414462  0.365847  1
  Ta  Ta113  1  0.813479  0.071115  0.424539  1
  Ta  Ta114  1  0.807593  0.744824  0.394234  1
  Ta  Ta115  1  0.894119  0.439466  0.412835  1
  Ta  Ta116  1  0.900815  0.113339  0.382434  1
  Ta  Ta117  1  0.893247  0.765497  0.442229  1
  Ta  Ta118  1  0.106469  0.367050  0.404756  1
  Ta  Ta119  1  0.110471  0.039519  0.375196  1
  Ta  Ta120  1  0.106889  0.693404  0.435295  1
  Ta  Ta121  1  0.484038  0.458113  0.366168  1
  Ta  Ta122  1  0.473467  0.111746  0.427836  1
  Ta  Ta123  1  0.469633  0.785699  0.396650  1
  Ta  Ta124  1  0.532062  0.347040  0.449652  1
  Ta  Ta125  1  0.533030  0.021165  0.419692  1
  Ta  Ta126  1  0.527457  0.695157  0.388781  1
  Ta  Ta127  1  0.970166  0.521160  0.419679  1
  Ta  Ta128  1  0.975840  0.195152  0.388778  1
  Ta  Ta129  1  0.971182  0.847034  0.449645  1
  Ta  Ta130  1  0.033870  0.285719  0.396654  1
  Ta  Ta131  1  0.019211  0.958126  0.366172  1
  Ta  Ta132  1  0.030043  0.611755  0.427833  1
  Ta  Ta133  1  1.000354  0.555488  0.469367  1
  Ta  Ta134  1  0.003117  0.207696  0.529853  1
  Ta  Ta135  1  1.001736  0.881592  0.499610  1
  Ta  Ta136  1  0.501736  0.381592  0.499610  1
  Ta  Ta137  1  0.503076  0.055488  0.469373  1
  Ta  Ta138  1  0.500395  0.707696  0.529847  1
  Ta  Ta139  1  0.751022  0.495053  0.463863  1
  Ta  Ta140  1  0.753302  0.147453  0.524332  1
  Ta  Ta141  1  0.751075  0.821360  0.493885  1
  Ta  Ta142  1  0.252449  0.268131  0.535357  1
  Ta  Ta143  1  0.252397  0.941824  0.505335  1
  Ta  Ta144  1  0.250169  0.615731  0.474888  1
  Ta  Ta145  1  0.422649  0.292248  0.491167  1
  Ta  Ta146  1  0.421285  0.966132  0.461106  1
  Ta  Ta147  1  0.420354  0.618286  0.521735  1
  Ta  Ta148  1  0.580823  0.470936  0.508053  1
  Ta  Ta149  1  0.583118  0.144898  0.477484  1
  Ta  Ta150  1  0.582187  0.797052  0.538113  1
  Ta  Ta151  1  0.921368  0.297023  0.538111  1
  Ta  Ta152  1  0.922694  0.970905  0.508055  1
  Ta  Ta153  1  0.920384  0.644869  0.477480  1
  Ta  Ta154  1  0.082103  0.466161  0.461109  1
  Ta  Ta155  1  0.083088  0.118315  0.521739  1
  Ta  Ta156  1  0.080778  0.792279  0.491164  1
  Ta  Ta157  1  0.251053  0.441816  0.505331  1
  Ta  Ta158  1  0.253255  0.115720  0.474890  1
  Ta  Ta159  1  0.251052  0.768121  0.535348  1
  Ta  Ta160  1  0.752419  0.321368  0.493889  1
  Ta  Ta161  1  0.752420  0.995063  0.463871  1
  Ta  Ta162  1  0.750216  0.647464  0.524330  1
  Ta  Ta163  1  0.393087  0.519389  0.465922  1
  Ta  Ta164  1  0.395454  0.171636  0.526460  1
  Ta  Ta165  1  0.393605  0.845583  0.496031  1
  Ta  Ta166  1  0.610385  0.243795  0.533298  1
  Ta  Ta167  1  0.609867  0.917601  0.503189  1
  Ta  Ta168  1  0.608017  0.591548  0.472760  1
  Ta  Ta169  1  0.693600  0.223696  0.484880  1
  Ta  Ta170  1  0.692322  0.897061  0.454891  1
  Ta  Ta171  1  0.690793  0.549761  0.515486  1
  Ta  Ta172  1  0.309872  0.539488  0.514340  1
  Ta  Ta173  1  0.312678  0.213423  0.483734  1
  Ta  Ta174  1  0.311150  0.866123  0.544329  1
  Ta  Ta175  1  0.192279  0.366170  0.544317  1
  Ta  Ta176  1  0.193515  0.039529  0.514344  1
  Ta  Ta177  1  0.190702  0.713466  0.483733  1
  Ta  Ta178  1  0.811193  0.397014  0.454902  1
  Ta  Ta179  1  0.812770  0.049718  0.515487  1
  Ta  Ta180  1  0.809957  0.723655  0.484876  1
  Ta  Ta181  1  0.893500  0.417595  0.503189  1
  Ta  Ta182  1  0.895326  0.091534  0.472764  1
  Ta  Ta183  1  0.893038  0.743786  0.533289  1
  Ta  Ta184  1  0.109972  0.345589  0.496030  1
  Ta  Ta185  1  0.110433  0.019398  0.465931  1
  Ta  Ta186  1  0.108146  0.671650  0.526456  1
  Ta  Ta187  1  0.470862  0.437628  0.458281  1
  Ta  Ta188  1  0.473135  0.089948  0.519089  1
  Ta  Ta189  1  0.470438  0.763932  0.488453  1
  Ta  Ta190  1  0.532610  0.325556  0.540939  1
  Ta  Ta191  1  0.533034  0.999252  0.510767  1
  Ta  Ta192  1  0.530336  0.673236  0.480131  1
  Ta  Ta193  1  0.970263  0.499250  0.510760  1
  Ta  Ta194  1  0.972943  0.173228  0.480130  1
  Ta  Ta195  1  0.970761  0.825552  0.540932  1
  Ta  Ta196  1  0.033208  0.263934  0.488460  1
  Ta  Ta197  1  0.032710  0.937632  0.458287  1
  Ta  Ta198  1  0.030528  0.589956  0.519090  1
  Ta  Ta199  1  0.999534  0.533737  0.560598  1
  Ta  Ta200  1  0.007447  0.186000  0.621181  1
  Ta  Ta201  1  1.001963  0.860425  0.590903  1
  Ta  Ta202  1  0.501637  0.360415  0.590904  1
  Ta  Ta203  1  0.503983  0.033731  0.560600  1
  Ta  Ta204  1  0.496135  0.685989  0.621176  1
  Ta  Ta205  1  0.751582  0.473482  0.554954  1
  Ta  Ta206  1  0.759107  0.125854  0.616061  1
  Ta  Ta207  1  0.754013  0.800159  0.585371  1
  Ta  Ta208  1  0.254671  0.245982  0.626921  1
  Ta  Ta209  1  0.251346  0.921023  0.596951  1
  Ta  Ta210  1  0.248657  0.594170  0.565991  1
  Ta  Ta211  1  0.421642  0.270943  0.582331  1
  Ta  Ta212  1  0.421984  0.944638  0.552419  1
  Ta  Ta213  1  0.415877  0.596938  0.613020  1
  Ta  Ta214  1  0.584916  0.448742  0.599111  1
  Ta  Ta215  1  0.586046  0.122945  0.568655  1
  Ta  Ta216  1  0.577966  0.775165  0.628309  1
  Ta  Ta217  1  0.925957  0.275199  0.628316  1
  Ta  Ta218  1  0.918698  0.948753  0.599115  1
  Ta  Ta219  1  0.917531  0.622933  0.568648  1
  Ta  Ta220  1  0.081478  0.444670  0.552418  1
  Ta  Ta221  1  0.087640  0.096955  0.613019  1
  Ta  Ta222  1  0.081929  0.770971  0.582323  1
  Ta  Ta223  1  0.252166  0.421005  0.596942  1
  Ta  Ta224  1  0.254849  0.094154  0.565990  1
  Ta  Ta225  1  0.249051  0.745992  0.626908  1
  Ta  Ta226  1  0.749657  0.300170  0.585377  1
  Ta  Ta227  1  0.751954  0.973492  0.554959  1
  Ta  Ta228  1  0.744525  0.625874  0.616053  1
  Ta  Ta229  1  0.393389  0.497674  0.556989  1
  Ta  Ta230  1  0.401114  0.149840  0.616793  1
  Ta  Ta231  1  0.394378  0.823697  0.586402  1
  Ta  Ta232  1  0.610669  0.223695  0.624025  1
  Ta  Ta233  1  0.606484  0.896167  0.594464  1
  Ta  Ta234  1  0.606848  0.569795  0.563927  1
  Ta  Ta235  1  0.694022  0.201952  0.575973  1
  Ta  Ta236  1  0.691715  0.875933  0.545940  1
  Ta  Ta237  1  0.689120  0.527694  0.606566  1
  Ta  Ta238  1  0.307500  0.518341  0.604980  1
  Ta  Ta239  1  0.313486  0.192033  0.574688  1
  Ta  Ta240  1  0.316185  0.848759  0.633377  1
  Ta  Ta241  1  0.187315  0.348722  0.633373  1
  Ta  Ta242  1  0.195878  0.018360  0.604985  1
  Ta  Ta243  1  0.189992  0.692069  0.574681  1
  Ta  Ta244  1  0.811892  0.375896  0.545937  1
  Ta  Ta245  1  0.814509  0.027682  0.606571  1
  Ta  Ta246  1  0.809627  0.701934  0.575967  1
  Ta  Ta247  1  0.897003  0.396134  0.594464  1
  Ta  Ta248  1  0.896583  0.069780  0.563925  1
  Ta  Ta249  1  0.893000  0.723666  0.624024  1
  Ta  Ta250  1  0.109352  0.323718  0.586385  1
  Ta  Ta251  1  0.110225  0.997687  0.556991  1
  Ta  Ta252  1  0.102656  0.649845  0.616786  1
  Ta  Ta253  1  0.471409  0.416144  0.549568  1
  Ta  Ta254  1  0.476015  0.068027  0.610439  1
  Ta  Ta255  1  0.470442  0.742019  0.579527  1
  Ta  Ta256  1  0.519433  0.305071  0.633052  1
  Ta  Ta257  1  0.533838  0.977485  0.602570  1
  Ta  Ta258  1  0.530005  0.651438  0.571384  1
  Ta  Ta259  1  0.969601  0.477465  0.602565  1
  Ta  Ta260  1  0.973428  0.151429  0.571387  1
  Ta  Ta261  1  0.984260  0.805058  0.633048  1
  Ta  Ta262  1  0.033306  0.242025  0.579541  1
  Ta  Ta263  1  0.032289  0.916151  0.549575  1
  Ta  Ta264  1  0.027632  0.568032  0.610442  1
  Ta  Ta265  1  0.995696  0.512199  0.652894  1
  Ta  Ta266  1  0.016024  0.165072  0.712026  1
  Ta  Ta267  1  0.988100  0.839832  0.682385  1
  Ta  Ta268  1  0.515503  0.339839  0.682385  1
  Ta  Ta269  1  0.507913  0.012223  0.652907  1
  Ta  Ta270  1  0.487729  0.665061  0.712027  1
  Ta  Ta271  1  0.754695  0.450785  0.647109  1
  Ta  Ta272  1  0.752549  0.105005  0.704643  1
  Ta  Ta273  1  0.737346  0.778204  0.674624  1
  Ta  Ta274  1  0.283641  0.223585  0.717269  1
  Ta  Ta275  1  0.253427  0.896021  0.688577  1
  Ta  Ta276  1  0.248678  0.570766  0.657740  1
  Ta  Ta277  1  0.435764  0.251768  0.675465  1
  Ta  Ta278  1  0.410777  0.926975  0.646435  1
  Ta  Ta279  1  0.409783  0.573105  0.705600  1
  Ta  Ta280  1  0.592642  0.426039  0.692198  1
  Ta  Ta281  1  0.580994  0.100955  0.659731  1
  Ta  Ta282  1  0.554805  0.758971  0.719843  1
  Ta  Ta283  1  0.948986  0.258964  0.719843  1
  Ta  Ta284  1  0.910943  0.926037  0.692172  1
  Ta  Ta285  1  0.922601  0.600941  0.659720  1
  Ta  Ta286  1  0.092559  0.426929  0.646427  1
  Ta  Ta287  1  0.093700  0.073103  0.705590  1
  Ta  Ta288  1  0.067907  0.751746  0.675451  1
  Ta  Ta289  1  0.250114  0.396023  0.688552  1
  Ta  Ta290  1  0.254819  0.070759  0.657728  1
  Ta  Ta291  1  0.220108  0.723536  0.717231  1
  Ta  Ta292  1  0.766500  0.278253  0.674618  1
  Ta  Ta293  1  0.748754  0.950776  0.647114  1
  Ta  Ta294  1  0.751085  0.605012  0.704629  1
  Ta  Ta295  1  0.405547  0.477468  0.646869  1
  Ta  Ta296  1  0.380461  0.131186  0.705319  1
  Ta  Ta297  1  0.365084  0.801398  0.673564  1
  Ta  Ta298  1  0.655382  0.200218  0.711561  1
  Ta  Ta299  1  0.601632  0.869305  0.684796  1
  Ta  Ta300  1  0.607184  0.549668  0.654542  1
  Ta  Ta301  1  0.704468  0.178577  0.664216  1
  Ta  Ta302  1  0.692874  0.854064  0.636641  1
  Ta  Ta303  1  0.683726  0.509588  0.696590  1
  Ta  Ta304  1  0.301146  0.490277  0.693472  1
  Ta  Ta305  1  0.323679  0.174078  0.664007  1
  Ta  Ta306  1  0.257861  0.815657  0.719596  1
  Ta  Ta307  1  0.246264  0.315688  0.719639  1
  Ta  Ta308  1  0.202351  0.990269  0.693503  1
  Ta  Ta309  1  0.179900  0.674074  0.664008  1
  Ta  Ta310  1  0.810882  0.354062  0.636673  1
  Ta  Ta311  1  0.819839  0.009567  0.696624  1
  Ta  Ta312  1  0.799275  0.678545  0.664232  1
  Ta  Ta313  1  0.901895  0.369210  0.684862  1
  Ta  Ta314  1  0.896189  0.049651  0.654556  1
  Ta  Ta315  1  0.848303  0.700174  0.711585  1
  Ta  Ta316  1  0.138823  0.301435  0.673605  1
  Ta  Ta317  1  0.097979  0.977493  0.646892  1
  Ta  Ta318  1  0.123217  0.631171  0.705331  1
  Ta  Ta319  1  0.473282  0.395402  0.641797  1
  Ta  Ta320  1  0.473356  0.046170  0.703035  1
  Ta  Ta321  1  0.471552  0.720474  0.672524  1
  Ta  Ta322  1  0.586422  0.282413  0.722977  1
  Ta  Ta323  1  0.542572  0.954380  0.695837  1
  Ta  Ta324  1  0.507418  0.629666  0.664214  1
  Ta  Ta325  1  0.960828  0.454342  0.695822  1
  Ta  Ta326  1  0.996136  0.129666  0.664210  1
  Ta  Ta327  1  0.917580  0.782359  0.722982  1
  Ta  Ta328  1  0.032208  0.220498  0.672533  1
  Ta  Ta329  1  0.030317  0.895416  0.641805  1
  Ta  Ta330  1  0.030065  0.546149  0.703031  1
