# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.11774103
_cell_length_b   11.77850168
_cell_length_c   46.53796101
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.92221618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8770.49831537
_cell_formula_units_Z   220
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  0.721362  0.515952  0.277192  1
  Ta  Ta2  1  0.260713  0.442889  0.321357  1
  Ta  Ta3  1  0.500478  0.987625  0.298117  1
  Ta  Ta4  1  0.035334  0.909996  0.341955  1
  Ta  Ta5  1  0.627593  0.656698  0.303856  1
  Ta  Ta6  1  0.160379  0.578934  0.348014  1
  Ta  Ta7  1  0.368877  0.313294  0.293339  1
  Ta  Ta8  1  0.902991  0.238144  0.337347  1
  Ta  Ta9  1  0.481033  0.197983  0.325168  1
  Ta  Ta10  1  0.952921  0.307197  0.280933  1
  Ta  Ta11  1  0.579545  0.585769  0.357305  1
  Ta  Ta12  1  0.056456  0.695395  0.310270  1
  Ta  Ta13  1  0.739968  0.146726  0.344780  1
  Ta  Ta14  1  0.187509  0.234710  0.301316  1
  Ta  Ta15  1  0.320570  0.703821  0.348147  1
  Ta  Ta16  1  0.799191  0.745062  0.294285  1
  Ta  Ta17  1  0.371188  0.822389  0.298166  1
  Ta  Ta18  1  0.905125  0.743570  0.340631  1
  Ta  Ta19  1  0.633351  0.174913  0.300646  1
  Ta  Ta20  1  0.160333  0.087985  0.346909  1
  Ta  Ta21  1  0.424346  0.578553  0.316536  1
  Ta  Ta22  1  0.968964  0.509523  0.358458  1
  Ta  Ta23  1  0.534758  0.425447  0.293029  1
  Ta  Ta24  1  0.064667  0.335954  0.336149  1
  Ta  Ta25  1  0.643620  0.388812  0.332393  1
  Ta  Ta26  1  0.094778  0.475298  0.291969  1
  Ta  Ta27  1  0.457792  0.398451  0.353036  1
  Ta  Ta28  1  0.912883  0.517233  0.303958  1
  Ta  Ta29  1  0.404419  0.929898  0.357300  1
  Ta  Ta30  1  0.865816  0.969216  0.320310  1
  Ta  Ta31  1  0.683890  0.928175  0.321492  1
  Ta  Ta32  1  0.134914  0.982561  0.288621  1
  Ta  Ta33  1  0.720179  0.762226  0.358714  1
  Ta  Ta34  1  0.203170  0.838016  0.322220  1
  Ta  Ta35  1  0.316180  0.049707  0.319330  1
  Ta  Ta36  1  0.812512  0.124826  0.286174  1
  Ta  Ta37  1  0.519426  0.790319  0.332478  1
  Ta  Ta38  1  0.967969  0.863912  0.285018  1
  Ta  Ta39  1  0.568676  0.034115  0.353204  1
  Ta  Ta40  1  0.013881  0.112699  0.304931  1
  Ta  Ta41  1  0.770759  0.564310  0.334732  1
  Ta  Ta42  1  0.239974  0.641535  0.291990  1
  Ta  Ta43  1  0.315742  0.250292  0.348546  1
  Ta  Ta44  1  0.784930  0.337648  0.302020  1
  Ta  Ta45  1  0.803057  0.373623  0.365874  1
  Ta  Ta46  1  0.342873  0.296796  0.411701  1
  Ta  Ta47  1  0.572339  0.835176  0.388307  1
  Ta  Ta48  1  0.105713  0.764726  0.434517  1
  Ta  Ta49  1  0.698165  0.504972  0.393416  1
  Ta  Ta50  1  0.229036  0.421840  0.434882  1
  Ta  Ta51  1  0.442349  0.158801  0.384156  1
  Ta  Ta52  1  0.977231  0.085261  0.430304  1
  Ta  Ta53  1  0.534690  0.030287  0.417641  1
  Ta  Ta54  1  1.002831  0.111951  0.369924  1
  Ta  Ta55  1  0.666285  0.465150  0.450825  1
  Ta  Ta56  1  0.109148  0.502897  0.400862  1
  Ta  Ta57  1  0.818529  0.989675  0.438701  1
  Ta  Ta58  1  0.277514  0.076915  0.390521  1
  Ta  Ta59  1  0.388915  0.555836  0.433874  1
  Ta  Ta60  1  0.853845  0.627727  0.388545  1
  Ta  Ta61  1  0.443966  0.661190  0.384276  1
  Ta  Ta62  1  0.979324  0.593078  0.427089  1
  Ta  Ta63  1  0.693754  0.021676  0.396523  1
  Ta  Ta64  1  0.237543  0.935451  0.441282  1
  Ta  Ta65  1  0.513967  0.428110  0.408772  1
  Ta  Ta66  1  0.050003  0.349386  0.452021  1
  Ta  Ta67  1  0.604984  0.251301  0.377123  1
  Ta  Ta68  1  0.142155  0.180435  0.421683  1
  Ta  Ta69  1  0.698938  0.268735  0.424415  1
  Ta  Ta70  1  0.178943  0.312278  0.375640  1
  Ta  Ta71  1  0.523264  0.246725  0.443051  1
  Ta  Ta72  1  0.987831  0.319353  0.396403  1
  Ta  Ta73  1  0.480227  0.760007  0.449478  1
  Ta  Ta74  1  0.946173  0.840825  0.405543  1
  Ta  Ta75  1  0.754579  0.785447  0.417374  1
  Ta  Ta76  1  0.223695  0.857223  0.377954  1
  Ta  Ta77  1  0.813316  0.624354  0.449985  1
  Ta  Ta78  1  0.245494  0.663228  0.407136  1
  Ta  Ta79  1  0.377993  0.861298  0.413098  1
  Ta  Ta80  1  0.843698  0.961268  0.375452  1
  Ta  Ta81  1  0.598155  0.647504  0.420562  1
  Ta  Ta82  1  0.061519  0.719943  0.375667  1
  Ta  Ta83  1  0.635980  0.884465  0.449185  1
  Ta  Ta84  1  0.100289  0.964682  0.399930  1
  Ta  Ta85  1  0.849443  0.416655  0.422948  1
  Ta  Ta86  1  0.313197  0.485203  0.377572  1
  Ta  Ta87  1  0.377005  0.093576  0.444451  1
  Ta  Ta88  1  0.841744  0.179764  0.397293  1
  Ta  Ta89  1  0.877254  0.224499  0.457299  1
  Ta  Ta90  1  0.418669  0.153163  0.501487  1
  Ta  Ta91  1  0.654094  0.689683  0.479469  1
  Ta  Ta92  1  0.191119  0.615215  0.524569  1
  Ta  Ta93  1  0.776729  0.364191  0.483187  1
  Ta  Ta94  1  0.313882  0.285283  0.526650  1
  Ta  Ta95  1  0.525025  0.020038  0.478245  1
  Ta  Ta96  1  0.062710  0.943223  0.521151  1
  Ta  Ta97  1  0.647816  0.944818  0.513223  1
  Ta  Ta98  1  0.088867  0.985610  0.463041  1
  Ta  Ta99  1  0.756947  0.340173  0.541820  1
  Ta  Ta100  1  0.221782  0.417009  0.494388  1
  Ta  Ta101  1  0.908574  0.809338  0.525429  1
  Ta  Ta102  1  0.370249  0.888858  0.479862  1
  Ta  Ta103  1  0.475547  0.384022  0.522336  1
  Ta  Ta104  1  0.931956  0.471849  0.477345  1
  Ta  Ta105  1  0.520447  0.518819  0.472386  1
  Ta  Ta106  1  0.063051  0.439616  0.516104  1
  Ta  Ta107  1  0.780180  0.861502  0.487361  1
  Ta  Ta108  1  0.318577  0.786475  0.530972  1
  Ta  Ta109  1  0.609137  0.277676  0.492955  1
  Ta  Ta110  1  0.159725  0.175286  0.538539  1
  Ta  Ta111  1  0.689523  0.106998  0.464772  1
  Ta  Ta112  1  0.250877  0.020133  0.504751  1
  Ta  Ta113  1  0.773814  0.130882  0.516578  1
  Ta  Ta114  1  0.235341  0.198414  0.469941  1
  Ta  Ta115  1  0.584727  0.135386  0.537363  1
  Ta  Ta116  1  0.063885  0.188963  0.492001  1
  Ta  Ta117  1  0.538697  0.595257  0.540264  1
  Ta  Ta118  1  0.010014  0.673653  0.494681  1
  Ta  Ta119  1  0.812286  0.609121  0.507767  1
  Ta  Ta120  1  0.280639  0.686557  0.464167  1
  Ta  Ta121  1  0.917933  0.508966  0.542454  1
  Ta  Ta122  1  0.382920  0.587592  0.500648  1
  Ta  Ta123  1  0.513124  0.780640  0.507312  1
  Ta  Ta124  1  0.933846  0.824269  0.462506  1
  Ta  Ta125  1  0.656188  0.492358  0.513139  1
  Ta  Ta126  1  0.124637  0.567559  0.463794  1
  Ta  Ta127  1  0.700043  0.733479  0.538406  1
  Ta  Ta128  1  0.169244  0.806110  0.493804  1
  Ta  Ta129  1  0.919053  0.278257  0.514562  1
  Ta  Ta130  1  0.381809  0.354231  0.468162  1
  Ta  Ta131  1  0.446790  0.962125  0.536284  1
  Ta  Ta132  1  0.917675  0.032074  0.491992  1
  Ta  Ta133  1  0.959070  0.075036  0.548692  1
  Ta  Ta134  1  0.492196  0.001769  0.592653  1
  Ta  Ta135  1  0.722342  0.541484  0.570021  1
  Ta  Ta136  1  0.261311  0.467329  0.615611  1
  Ta  Ta137  1  0.857027  0.215114  0.574186  1
  Ta  Ta138  1  0.392334  0.138407  0.621832  1
  Ta  Ta139  1  0.595032  0.869039  0.565827  1
  Ta  Ta140  1  0.134537  0.796496  0.610889  1
  Ta  Ta141  1  0.718498  0.803258  0.601111  1
  Ta  Ta142  1  0.183741  0.879309  0.556928  1
  Ta  Ta143  1  0.822710  0.184164  0.634563  1
  Ta  Ta144  1  0.294746  0.267509  0.588589  1
  Ta  Ta145  1  0.980885  0.653782  0.611374  1
  Ta  Ta146  1  0.440653  0.734037  0.567643  1
  Ta  Ta147  1  0.558787  0.215796  0.611495  1
  Ta  Ta148  1  0.023051  0.295865  0.563740  1
  Ta  Ta149  1  0.596004  0.365322  0.563707  1
  Ta  Ta150  1  0.136429  0.288097  0.610606  1
  Ta  Ta151  1  0.853533  0.705794  0.575433  1
  Ta  Ta152  1  0.388531  0.639001  0.619394  1
  Ta  Ta153  1  0.696827  0.094318  0.577188  1
  Ta  Ta154  1  0.230833  0.036021  0.623789  1
  Ta  Ta155  1  0.799712  0.940868  0.550743  1
  Ta  Ta156  1  0.332532  0.867805  0.595543  1
  Ta  Ta157  1  0.843568  0.979203  0.607755  1
  Ta  Ta158  1  0.306586  0.058382  0.561994  1
  Ta  Ta159  1  0.653335  0.992579  0.627934  1
  Ta  Ta160  1  0.112251  0.058101  0.585900  1
  Ta  Ta161  1  0.607741  0.437985  0.626837  1
  Ta  Ta162  1  0.078585  0.517693  0.582718  1
  Ta  Ta163  1  0.871379  0.453097  0.596246  1
  Ta  Ta164  1  0.347019  0.519764  0.554829  1
  Ta  Ta165  1  0.988663  0.368607  0.624662  1
  Ta  Ta166  1  0.453861  0.436232  0.592227  1
  Ta  Ta167  1  0.584683  0.633533  0.596596  1
  Ta  Ta168  1  0.051828  0.706092  0.551717  1
  Ta  Ta169  1  0.724578  0.319793  0.603328  1
  Ta  Ta170  1  0.193099  0.404421  0.556978  1
  Ta  Ta171  1  0.765578  0.579592  0.627411  1
  Ta  Ta172  1  0.235865  0.659643  0.582470  1
  Ta  Ta173  1  0.979250  0.135942  0.612269  1
  Ta  Ta174  1  0.447016  0.208282  0.563468  1
  Ta  Ta175  1  0.520167  0.812968  0.624835  1
  Ta  Ta176  1  0.982869  0.881690  0.581202  1
  Ta  Ta177  1  0.025204  0.919008  0.638134  1
  Ta  Ta178  1  0.567142  0.853796  0.681684  1
  Ta  Ta179  1  0.792875  0.389015  0.660685  1
  Ta  Ta180  1  0.327206  0.309211  0.706022  1
  Ta  Ta181  1  0.923860  0.043032  0.668595  1
  Ta  Ta182  1  0.462766  0.982153  0.711402  1
  Ta  Ta183  1  0.669707  0.719869  0.655369  1
  Ta  Ta184  1  0.198999  0.647321  0.698847  1
  Ta  Ta185  1  0.775065  0.605313  0.692744  1
  Ta  Ta186  1  0.253790  0.714612  0.646748  1
  Ta  Ta187  1  0.873488  0.988947  0.725201  1
  Ta  Ta188  1  0.350518  0.098220  0.679652  1
  Ta  Ta189  1  0.039837  0.515932  0.703639  1
  Ta  Ta190  1  0.509837  0.593628  0.655759  1
  Ta  Ta191  1  0.641813  0.062843  0.703705  1
  Ta  Ta192  1  0.093307  0.137079  0.656943  1
  Ta  Ta193  1  0.666872  0.214763  0.659986  1
  Ta  Ta194  1  0.196465  0.116676  0.702710  1
  Ta  Ta195  1  0.923766  0.554610  0.661574  1
  Ta  Ta196  1  0.456567  0.475756  0.706108  1
  Ta  Ta197  1  0.762704  0.952585  0.668067  1
  Ta  Ta198  1  0.296824  0.872876  0.709185  1
  Ta  Ta199  1  0.865723  0.781452  0.639217  1
  Ta  Ta200  1  0.404974  0.715965  0.688024  1
  Ta  Ta201  1  0.901556  0.800180  0.694656  1
  Ta  Ta202  1  0.378388  0.898861  0.651588  1
  Ta  Ta203  1  0.726294  0.825827  0.714541  1
  Ta  Ta204  1  0.186808  0.907316  0.669597  1
  Ta  Ta205  1  0.698843  0.320135  0.716110  1
  Ta  Ta206  1  0.145662  0.362807  0.679776  1
  Ta  Ta207  1  0.960868  0.303574  0.676774  1
  Ta  Ta208  1  0.427234  0.366786  0.647543  1
  Ta  Ta209  1  0.017791  0.166167  0.715442  1
  Ta  Ta210  1  0.512754  0.248408  0.686677  1
  Ta  Ta211  1  0.626493  0.461593  0.682567  1
  Ta  Ta212  1  0.115997  0.540544  0.643383  1
  Ta  Ta213  1  0.814657  0.180811  0.698797  1
  Ta  Ta214  1  0.263601  0.258487  0.651045  1
  Ta  Ta215  1  0.868301  0.429946  0.715350  1
  Ta  Ta216  1  0.309009  0.507030  0.671560  1
  Ta  Ta217  1  0.048159  0.948959  0.703028  1
  Ta  Ta218  1  0.517470  0.050615  0.656114  1
  Ta  Ta219  1  0.587927  0.656321  0.712098  1
  Ta  Ta220  1  0.055812  0.728100  0.669530  1
