# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89638119
_cell_length_b   21.49502011
_cell_length_c   50.86537618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06605413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta220
_cell_volume   8633.52067003
_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  0.068397  0.999794  0.291374  1
  Ta  Ta2  1  0.079710  0.476836  0.333439  1
  Ta  Ta3  1  0.576276  0.214950  0.355092  1
  Ta  Ta4  1  0.583193  0.743586  0.312355  1
  Ta  Ta5  1  0.982742  0.122197  0.298553  1
  Ta  Ta6  1  -0.012087  0.596865  0.342665  1
  Ta  Ta7  1  0.143558  0.325692  0.320320  1
  Ta  Ta8  1  0.145798  0.797742  0.364085  1
  Ta  Ta9  1  0.824844  0.131413  0.344931  1
  Ta  Ta10  1  0.848690  0.665675  0.300701  1
  Ta  Ta11  1  0.325719  0.297752  0.364061  1
  Ta  Ta12  1  0.327922  0.825661  0.320331  1
  Ta  Ta13  1  0.805816  0.916617  0.286336  1
  Ta  Ta14  1  0.833725  0.389217  0.328320  1
  Ta  Ta15  1  0.342197  0.076611  0.292690  1
  Ta  Ta16  1  0.329120  0.563417  0.338573  1
  Ta  Ta17  1  0.637678  0.889297  0.328372  1
  Ta  Ta18  1  0.665267  0.416869  0.286348  1
  Ta  Ta19  1  0.483542  0.096852  0.342661  1
  Ta  Ta20  1  0.488725  0.622339  0.298499  1
  Ta  Ta21  1  0.290628  0.201624  0.311591  1
  Ta  Ta22  1  0.341000  0.688326  0.355391  1
  Ta  Ta23  1  0.888462  0.243403  0.312389  1
  Ta  Ta24  1  0.895199  0.714935  0.355103  1
  Ta  Ta25  1  0.130109  0.188498  0.355383  1
  Ta  Ta26  1  0.180982  0.701712  0.311583  1
  Ta  Ta27  1  0.886169  0.281090  0.362439  1
  Ta  Ta28  1  0.910546  0.801934  0.316926  1
  Ta  Ta29  1  0.407046  0.934699  0.285652  1
  Ta  Ta30  1  0.390791  0.410444  0.327374  1
  Ta  Ta31  1  0.671744  0.034128  0.296857  1
  Ta  Ta32  1  0.635539  0.500719  0.338236  1
  Ta  Ta33  1  0.391649  0.976804  0.333451  1
  Ta  Ta34  1  0.402874  0.499895  0.291361  1
  Ta  Ta35  1  0.836293  1.000535  0.338186  1
  Ta  Ta36  1  0.799613  0.534272  0.296840  1
  Ta  Ta37  1  0.560921  0.301941  0.316912  1
  Ta  Ta38  1  0.585043  0.781068  0.362432  1
  Ta  Ta39  1  0.622772  0.165596  0.300695  1
  Ta  Ta40  1  0.646385  0.631581  0.344884  1
  Ta  Ta41  1  0.142557  0.063468  0.338625  1
  Ta  Ta42  1  0.129363  0.576729  0.292694  1
  Ta  Ta43  1  0.080912  0.910393  0.327393  1
  Ta  Ta44  1  0.064242  0.434802  0.285638  1
  Ta  Ta45  1  0.083581  0.952333  0.378570  1
  Ta  Ta46  1  0.078769  0.429084  0.424273  1
  Ta  Ta47  1  0.578608  0.168898  0.447354  1
  Ta  Ta48  1  0.584601  0.691797  0.401722  1
  Ta  Ta49  1  0.984015  0.072555  0.389295  1
  Ta  Ta50  1  0.985564  0.549167  0.435525  1
  Ta  Ta51  1  0.137513  0.276464  0.410076  1
  Ta  Ta52  1  0.142460  0.753587  0.455635  1
  Ta  Ta53  1  0.832574  0.086433  0.439080  1
  Ta  Ta54  1  0.835670  0.609554  0.392656  1
  Ta  Ta55  1  0.329053  0.253588  0.455628  1
  Ta  Ta56  1  0.334003  0.776427  0.410080  1
  Ta  Ta57  1  0.839769  0.865829  0.370550  1
  Ta  Ta58  1  0.827347  0.344354  0.416248  1
  Ta  Ta59  1  0.334714  0.035217  0.385559  1
  Ta  Ta60  1  0.332992  0.512209  0.431610  1
  Ta  Ta61  1  0.644169  0.844355  0.416254  1
  Ta  Ta62  1  0.631747  0.365888  0.370545  1
  Ta  Ta63  1  0.485938  0.049183  0.435530  1
  Ta  Ta64  1  0.487443  0.572563  0.389275  1
  Ta  Ta65  1  0.318386  0.162048  0.398947  1
  Ta  Ta66  1  0.322187  0.639702  0.445008  1
  Ta  Ta67  1  0.886886  0.191809  0.401731  1
  Ta  Ta68  1  0.892844  0.668875  0.447359  1
  Ta  Ta69  1  0.148896  0.139900  0.445021  1
  Ta  Ta70  1  0.152642  0.662205  0.398978  1
  Ta  Ta71  1  0.892811  0.233782  0.453575  1
  Ta  Ta72  1  0.897644  0.756530  0.407499  1
  Ta  Ta73  1  0.393264  0.886759  0.372562  1
  Ta  Ta74  1  0.391819  0.363787  0.418262  1
  Ta  Ta75  1  0.649274  0.980479  0.381790  1
  Ta  Ta76  1  0.648096  0.458007  0.427139  1
  Ta  Ta77  1  0.392850  0.929086  0.424286  1
  Ta  Ta78  1  0.387906  0.452337  0.378556  1
  Ta  Ta79  1  0.823876  0.957782  0.427119  1
  Ta  Ta80  1  0.822697  0.480219  0.381765  1
  Ta  Ta81  1  0.573643  0.256546  0.407487  1
  Ta  Ta82  1  0.578509  0.733776  0.453566  1
  Ta  Ta83  1  0.635385  0.109800  0.392675  1
  Ta  Ta84  1  0.638551  0.586630  0.439082  1
  Ta  Ta85  1  0.138870  1.012374  0.431636  1
  Ta  Ta86  1  0.137149  0.535393  0.385558  1
  Ta  Ta87  1  0.079928  0.863765  0.418268  1
  Ta  Ta88  1  0.078411  0.386741  0.372538  1
  Ta  Ta89  1  0.080675  0.906080  0.469966  1
  Ta  Ta90  1  0.079665  0.383148  0.515686  1
  Ta  Ta91  1  0.580623  0.122925  0.539020  1
  Ta  Ta92  1  0.579604  0.645851  0.493292  1
  Ta  Ta93  1  0.985947  0.026053  0.481454  1
  Ta  Ta94  1  0.985602  0.502945  0.527531  1
  Ta  Ta95  1  0.141337  0.230688  0.501416  1
  Ta  Ta96  1  0.139898  0.707852  0.547074  1
  Ta  Ta97  1  0.833972  0.040316  0.531226  1
  Ta  Ta98  1  0.833429  0.563518  0.485250  1
  Ta  Ta99  1  0.331654  0.207836  0.547073  1
  Ta  Ta100  1  0.330210  0.730673  0.501413  1
  Ta  Ta101  1  0.831651  0.821147  0.461911  1
  Ta  Ta102  1  0.830212  0.298310  0.507569  1
  Ta  Ta103  1  0.334346  0.988492  0.477754  1
  Ta  Ta104  1  0.333831  0.465272  0.523717  1
  Ta  Ta105  1  0.641339  0.798326  0.507572  1
  Ta  Ta106  1  0.639895  0.321162  0.461912  1
  Ta  Ta107  1  0.485967  1.002946  0.527538  1
  Ta  Ta108  1  0.485583  0.526052  0.481447  1
  Ta  Ta109  1  0.321068  0.116509  0.490618  1
  Ta  Ta110  1  0.320553  0.593464  0.536353  1
  Ta  Ta111  1  0.891884  0.145851  0.493299  1
  Ta  Ta112  1  0.890875  0.622919  0.539019  1
  Ta  Ta113  1  0.150557  0.093683  0.536378  1
  Ta  Ta114  1  0.150003  0.616711  0.490640  1
  Ta  Ta115  1  0.895494  0.188027  0.545019  1
  Ta  Ta116  1  0.894331  0.710915  0.499220  1
  Ta  Ta117  1  0.395707  0.840970  0.463975  1
  Ta  Ta118  1  0.394572  0.318087  0.509769  1
  Ta  Ta119  1  0.650996  0.935534  0.472631  1
  Ta  Ta120  1  0.650481  0.412489  0.518367  1
  Ta  Ta121  1  0.391945  0.883147  0.515693  1
  Ta  Ta122  1  0.390927  0.406074  0.469965  1
  Ta  Ta123  1  0.821546  0.912287  0.518345  1
  Ta  Ta124  1  0.820993  0.435315  0.472607  1
  Ta  Ta125  1  0.576977  0.210911  0.499216  1
  Ta  Ta126  1  0.575842  0.688028  0.545010  1
  Ta  Ta127  1  0.637718  0.063726  0.485268  1
  Ta  Ta128  1  0.637203  0.540506  0.531231  1
  Ta  Ta129  1  0.138120  0.965480  0.523735  1
  Ta  Ta130  1  0.137578  0.488682  0.477759  1
  Ta  Ta131  1  0.077218  0.818084  0.509765  1
  Ta  Ta132  1  0.076055  0.340972  0.463966  1
  Ta  Ta133  1  0.078705  0.860123  0.561626  1
  Ta  Ta134  1  0.084663  0.337190  0.607254  1
  Ta  Ta135  1  0.583643  0.076662  0.630429  1
  Ta  Ta136  1  0.578700  0.599913  0.584699  1
  Ta  Ta137  1  0.985985  0.979831  0.573460  1
  Ta  Ta138  1  -0.012466  0.456443  0.619690  1
  Ta  Ta139  1  0.144203  0.184644  0.592737  1
  Ta  Ta140  1  0.131781  0.663169  0.638435  1
  Ta  Ta141  1  0.834400  0.993605  0.623427  1
  Ta  Ta142  1  0.832679  0.516624  0.577349  1
  Ta  Ta143  1  0.339802  0.163111  0.638440  1
  Ta  Ta144  1  0.327381  0.684643  0.592731  1
  Ta  Ta145  1  0.829089  0.775411  0.553350  1
  Ta  Ta146  1  0.834036  0.252535  0.598909  1
  Ta  Ta147  1  0.332998  0.942369  0.569903  1
  Ta  Ta148  1  0.336164  0.419198  0.616310  1
  Ta  Ta149  1  0.637547  0.752572  0.598905  1
  Ta  Ta150  1  0.642496  0.275410  0.553357  1
  Ta  Ta151  1  0.484107  0.956435  0.619710  1
  Ta  Ta152  1  0.485611  0.479815  0.573455  1
  Ta  Ta153  1  0.323453  0.070991  0.581846  1
  Ta  Ta154  1  0.322276  0.548519  0.627195  1
  Ta  Ta155  1  0.892780  0.099914  0.584712  1
  Ta  Ta156  1  0.887969  0.576665  0.630415  1
  Ta  Ta157  1  0.148853  0.048780  0.627220  1
  Ta  Ta158  1  0.147673  0.571216  0.581866  1
  Ta  Ta159  1  0.893138  0.142257  0.636447  1
  Ta  Ta160  1  0.891621  0.665233  0.590717  1
  Ta  Ta161  1  0.393040  0.795222  0.555419  1
  Ta  Ta162  1  0.397906  0.272453  0.601498  1
  Ta  Ta163  1  0.649362  0.889296  0.563977  1
  Ta  Ta164  1  0.653163  0.366950  0.610038  1
  Ta  Ta165  1  0.386949  0.837201  0.607263  1
  Ta  Ta166  1  0.392941  0.360100  0.561631  1
  Ta  Ta167  1  0.818908  0.866793  0.610007  1
  Ta  Ta168  1  0.822653  0.389098  0.563964  1
  Ta  Ta169  1  0.579731  0.165212  0.590723  1
  Ta  Ta170  1  0.578285  0.642239  0.636423  1
  Ta  Ta171  1  0.638557  1.016789  0.577375  1
  Ta  Ta172  1  0.636836  0.493781  0.623426  1
  Ta  Ta173  1  0.135879  0.919445  0.616329  1
  Ta  Ta174  1  0.138975  0.442565  0.569905  1
  Ta  Ta175  1  0.073906  0.772469  0.601486  1
  Ta  Ta176  1  0.078739  0.295216  0.555410  1
  Ta  Ta177  1  0.076351  0.814063  0.653882  1
  Ta  Ta178  1  0.083087  0.285595  0.696596  1
  Ta  Ta179  1  0.568675  0.029103  0.717624  1
  Ta  Ta180  1  0.579900  0.552194  0.675534  1
  Ta  Ta181  1  0.983636  0.932133  0.666319  1
  Ta  Ta182  1  -0.011193  0.406801  0.710432  1
  Ta  Ta183  1  0.137824  0.139782  0.680665  1
  Ta  Ta184  1  0.165734  0.612382  0.722648  1
  Ta  Ta185  1  0.842187  0.952269  0.716291  1
  Ta  Ta186  1  0.828993  0.465530  0.670360  1
  Ta  Ta187  1  0.306282  0.112130  0.722637  1
  Ta  Ta188  1  0.333871  0.639701  0.680613  1
  Ta  Ta189  1  0.825752  0.731256  0.644900  1
  Ta  Ta190  1  0.827991  0.203306  0.688665  1
  Ta  Ta191  1  0.325164  0.897418  0.664101  1
  Ta  Ta192  1  0.348777  0.363403  0.708290  1
  Ta  Ta193  1  0.643627  0.703337  0.688654  1
  Ta  Ta194  1  0.645830  0.231246  0.644924  1
  Ta  Ta195  1  0.482825  0.906659  0.710486  1
  Ta  Ta196  1  0.488007  0.432147  0.666324  1
  Ta  Ta197  1  0.336010  0.028280  0.670749  1
  Ta  Ta198  1  0.299805  0.494870  0.712128  1
  Ta  Ta199  1  0.891839  0.052162  0.675546  1
  Ta  Ta200  1  0.903153  0.529205  0.717611  1
  Ta  Ta201  1  0.171937  0.994726  0.712145  1
  Ta  Ta202  1  0.135257  0.528463  0.670799  1
  Ta  Ta203  1  0.907308  0.094197  0.723347  1
  Ta  Ta204  1  0.890638  0.618606  0.681592  1
  Ta  Ta205  1  0.386506  0.747930  0.646553  1
  Ta  Ta206  1  0.410628  0.227057  0.692073  1
  Ta  Ta207  1  0.630549  0.840673  0.653594  1
  Ta  Ta208  1  0.680922  0.327374  0.697394  1
  Ta  Ta209  1  0.388356  0.785412  0.696630  1
  Ta  Ta210  1  0.395274  0.314048  0.653893  1
  Ta  Ta211  1  0.790568  0.827286  0.697402  1
  Ta  Ta212  1  0.841440  0.340500  0.653602  1
  Ta  Ta213  1  0.580759  0.118554  0.681611  1
  Ta  Ta214  1  0.564503  0.594300  0.723333  1
  Ta  Ta215  1  0.642429  0.965582  0.670412  1
  Ta  Ta216  1  0.629352  0.452387  0.716295  1
  Ta  Ta217  1  0.122859  0.863323  0.708283  1
  Ta  Ta218  1  0.146705  0.397585  0.664053  1
  Ta  Ta219  1  0.061003  0.727064  0.692059  1
  Ta  Ta220  1  0.085381  0.247908  0.646546  1
