# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71590869
_cell_length_b   33.74597297
_cell_length_c   51.52310303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8199.53742832
_cell_formula_units_Z   198
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  1.004581  0.891211  0.287295  1
  Ta  Ta2  1  1.004581  0.228775  0.328017  1
  Ta  Ta3  1  1.004581  0.551049  0.379942  1
  Ta  Ta4  1  0.504581  0.044015  0.375683  1
  Ta  Ta5  1  0.504581  0.421685  0.287160  1
  Ta  Ta6  1  0.504581  0.735504  0.324893  1
  Ta  Ta7  1  1.004581  0.136000  0.321783  1
  Ta  Ta8  1  1.004581  0.458020  0.374174  1
  Ta  Ta9  1  1.004581  0.783257  0.429546  1
  Ta  Ta10  1  1.004581  0.998145  0.286528  1
  Ta  Ta11  1  1.004581  0.312344  0.322871  1
  Ta  Ta12  1  1.004581  0.642888  0.384980  1
  Ta  Ta13  1  0.504581  0.115764  0.350606  1
  Ta  Ta14  1  0.504581  0.434165  0.395538  1
  Ta  Ta15  1  0.504581  0.823101  0.297962  1
  Ta  Ta16  1  0.504581  0.974107  0.406047  1
  Ta  Ta17  1  0.504581  0.347973  0.308385  1
  Ta  Ta18  1  0.504581  0.667004  0.356244  1
  Ta  Ta19  1  1.004581  0.949454  0.325473  1
  Ta  Ta20  1  1.004581  0.276823  0.371338  1
  Ta  Ta21  1  1.004581  0.594399  0.426028  1
  Ta  Ta22  1  1.004581  0.187223  0.284136  1
  Ta  Ta23  1  1.004581  0.507861  0.334191  1
  Ta  Ta24  1  1.004581  0.820560  0.382603  1
  Ta  Ta25  1  0.504581  0.957318  0.353936  1
  Ta  Ta26  1  0.504581  0.283737  0.399417  1
  Ta  Ta27  1  0.504581  0.636427  0.307178  1
  Ta  Ta28  1  0.504581  0.117788  0.407741  1
  Ta  Ta29  1  0.504581  0.503919  0.303201  1
  Ta  Ta30  1  0.504581  0.812560  0.349134  1
  Ta  Ta31  1  1.004581  0.037367  0.413709  1
  Ta  Ta32  1  1.004581  0.397033  0.324091  1
  Ta  Ta33  1  1.004581  0.718754  0.376999  1
  Ta  Ta34  1  1.004581  0.057273  0.328562  1
  Ta  Ta35  1  1.004581  0.377682  0.376163  1
  Ta  Ta36  1  1.004581  0.788226  0.293611  1
  Ta  Ta37  1  0.504581  0.112270  0.297466  1
  Ta  Ta38  1  0.504581  0.435738  0.339344  1
  Ta  Ta39  1  0.504581  0.750544  0.388235  1
  Ta  Ta40  1  0.504581  0.020543  0.320200  1
  Ta  Ta41  1  0.504581  0.347038  0.362409  1
  Ta  Ta42  1  0.504581  0.666131  0.416161  1
  Ta  Ta43  1  1.004581  0.921890  0.387134  1
  Ta  Ta44  1  1.004581  0.240498  0.419784  1
  Ta  Ta45  1  1.004581  0.610508  0.338032  1
  Ta  Ta46  1  1.004581  0.175065  0.368521  1
  Ta  Ta47  1  1.004581  0.563205  0.296501  1
  Ta  Ta48  1  1.004581  0.859889  0.336239  1
  Ta  Ta49  1  0.504581  0.882996  0.378907  1
  Ta  Ta50  1  0.504581  0.254937  0.293061  1
  Ta  Ta51  1  0.504581  0.568206  0.335243  1
  Ta  Ta52  1  0.504581  0.206322  0.381422  1
  Ta  Ta53  1  0.504581  0.536238  0.424094  1
  Ta  Ta54  1  0.504581  0.894248  0.321078  1
  Ta  Ta55  1  1.004581  1.000059  0.367367  1
  Ta  Ta56  1  1.004581  0.322804  0.415999  1
  Ta  Ta57  1  1.004581  0.690176  0.323303  1
  Ta  Ta58  1  1.004581  0.095711  0.379222  1
  Ta  Ta59  1  1.004581  0.462773  0.291829  1
  Ta  Ta60  1  1.004581  0.772685  0.340923  1
  Ta  Ta61  1  0.504581  0.185965  0.321721  1
  Ta  Ta62  1  0.504581  0.506965  0.372231  1
  Ta  Ta63  1  0.504581  0.822594  0.412894  1
  Ta  Ta64  1  0.504581  0.954401  0.287860  1
  Ta  Ta65  1  0.504581  0.270041  0.342963  1
  Ta  Ta66  1  0.504581  0.596177  0.386297  1
  Ta  Ta67  1  1.004581  0.865073  0.427624  1
  Ta  Ta68  1  1.004581  0.181379  0.473443  1
  Ta  Ta69  1  1.004581  0.499572  0.519993  1
  Ta  Ta70  1  0.504581  0.992491  0.523343  1
  Ta  Ta71  1  0.504581  0.365066  0.421899  1
  Ta  Ta72  1  0.504581  0.686213  0.476900  1
  Ta  Ta73  1  1.004581  0.092960  0.450290  1
  Ta  Ta74  1  1.004581  0.393421  0.510652  1
  Ta  Ta75  1  1.004581  0.725309  0.578564  1
  Ta  Ta76  1  1.004581  0.963918  0.435893  1
  Ta  Ta77  1  1.004581  0.264342  0.472702  1
  Ta  Ta78  1  1.004581  0.604738  0.529376  1
  Ta  Ta79  1  0.504581  0.063125  0.492396  1
  Ta  Ta80  1  0.504581  0.383118  0.537573  1
  Ta  Ta81  1  0.504581  0.747023  0.442972  1
  Ta  Ta82  1  0.504581  0.921562  0.553928  1
  Ta  Ta83  1  0.504581  0.295380  0.451557  1
  Ta  Ta84  1  0.504581  0.616065  0.504274  1
  Ta  Ta85  1  1.004581  0.902888  0.473004  1
  Ta  Ta86  1  1.004581  0.204159  0.526574  1
  Ta  Ta87  1  1.004581  0.541910  0.564529  1
  Ta  Ta88  1  1.004581  0.160259  0.420402  1
  Ta  Ta89  1  1.004581  0.455959  0.475176  1
  Ta  Ta90  1  1.004581  0.768346  0.531239  1
  Ta  Ta91  1  0.504581  0.897064  0.500905  1
  Ta  Ta92  1  0.504581  0.243469  0.545177  1
  Ta  Ta93  1  0.504581  0.604658  0.452386  1
  Ta  Ta94  1  0.504581  0.080933  0.545665  1
  Ta  Ta95  1  0.504581  0.456450  0.445140  1
  Ta  Ta96  1  0.504581  0.757411  0.503631  1
  Ta  Ta97  1  1.004581  0.966517  0.566624  1
  Ta  Ta98  1  1.004581  0.347507  0.467062  1
  Ta  Ta99  1  1.004581  0.687433  0.517236  1
  Ta  Ta100  1  1.004581  0.017480  0.478775  1
  Ta  Ta101  1  1.004581  0.299219  0.523426  1
  Ta  Ta102  1  1.004581  0.699482  0.429911  1
  Ta  Ta103  1  0.504581  0.039915  0.440835  1
  Ta  Ta104  1  0.504581  0.390674  0.474905  1
  Ta  Ta105  1  0.504581  0.683116  0.542732  1
  Ta  Ta106  1  0.504581  0.968815  0.471003  1
  Ta  Ta107  1  0.504581  0.319666  0.503075  1
  Ta  Ta108  1  0.504581  0.607096  0.566375  1
  Ta  Ta109  1  1.004581  0.874763  0.539573  1
  Ta  Ta110  1  1.004581  0.201694  0.581114  1
  Ta  Ta111  1  1.004581  0.558512  0.477422  1
  Ta  Ta112  1  1.004581  0.109240  0.503616  1
  Ta  Ta113  1  1.004581  0.496194  0.424632  1
  Ta  Ta114  1  1.004581  0.826506  0.492027  1
  Ta  Ta115  1  0.504581  0.829674  0.531298  1
  Ta  Ta116  1  0.504581  0.209379  0.439736  1
  Ta  Ta117  1  0.504581  0.519685  0.477059  1
  Ta  Ta118  1  0.504581  0.154879  0.515287  1
  Ta  Ta119  1  0.504581  0.471279  0.568972  1
  Ta  Ta120  1  0.504581  0.826542  0.465854  1
  Ta  Ta121  1  1.004581  0.951093  0.513716  1
  Ta  Ta122  1  1.004581  0.277061  0.573656  1
  Ta  Ta123  1  1.004581  0.644430  0.469723  1
  Ta  Ta124  1  1.004581  0.036874  0.534087  1
  Ta  Ta125  1  1.004581  0.410541  0.429357  1
  Ta  Ta126  1  1.004581  0.745190  0.476309  1
  Ta  Ta127  1  0.504581  0.135011  0.462613  1
  Ta  Ta128  1  0.504581  0.454662  0.511877  1
  Ta  Ta129  1  0.504581  0.761706  0.560639  1
  Ta  Ta130  1  0.504581  0.905524  0.435474  1
  Ta  Ta131  1  0.504581  0.231992  0.493003  1
  Ta  Ta132  1  0.504581  0.543153  0.529374  1
  Ta  Ta133  1  1.004581  0.809538  0.577548  1
  Ta  Ta134  1  1.004581  0.138609  0.611732  1
  Ta  Ta135  1  1.004581  0.434247  0.663952  1
  Ta  Ta136  1  0.504581  0.963043  0.665095  1
  Ta  Ta137  1  0.504581  0.317322  0.569092  1
  Ta  Ta138  1  0.504581  0.623270  0.623202  1
  Ta  Ta139  1  1.004581  0.054345  0.588801  1
  Ta  Ta140  1  1.004581  0.353768  0.669462  1
  Ta  Ta141  1  1.004581  0.684866  0.685078  1
  Ta  Ta142  1  1.004581  0.896829  0.596176  1
  Ta  Ta143  1  1.004581  0.239028  0.629606  1
  Ta  Ta144  1  1.004581  0.516126  0.663498  1
  Ta  Ta145  1  0.504581  0.030504  0.633076  1
  Ta  Ta146  1  0.504581  0.318503  0.691311  1
  Ta  Ta147  1  0.504581  0.694995  0.598904  1
  Ta  Ta148  1  0.504581  0.890845  0.691309  1
  Ta  Ta149  1  0.504581  0.253303  0.600798  1
  Ta  Ta150  1  0.504581  0.549679  0.646396  1
  Ta  Ta151  1  1.004581  0.828500  0.630515  1
  Ta  Ta152  1  1.004581  0.171249  0.661073  1
  Ta  Ta153  1  1.004581  0.476064  0.709411  1
  Ta  Ta154  1  1.004581  0.124157  0.556556  1
  Ta  Ta155  1  1.004581  0.415614  0.611829  1
  Ta  Ta156  1  1.004581  0.765222  0.683764  1
  Ta  Ta157  1  0.504581  0.872395  0.639002  1
  Ta  Ta158  1  0.504581  0.154798  0.701621  1
  Ta  Ta159  1  0.504581  0.540259  0.594512  1
  Ta  Ta160  1  0.504581  0.055935  0.686346  1
  Ta  Ta161  1  0.504581  0.389349  0.592677  1
  Ta  Ta162  1  0.504581  0.712724  0.652478  1
  Ta  Ta163  1  1.004581  0.934091  0.700580  1
  Ta  Ta164  1  1.004581  0.328476  0.616241  1
  Ta  Ta165  1  1.004581  0.597439  0.667882  1
  Ta  Ta166  1  1.004581  0.986964  0.621251  1
  Ta  Ta167  1  1.004581  0.272498  0.676964  1
  Ta  Ta168  1  1.004581  0.644495  0.577823  1
  Ta  Ta169  1  0.504581  0.010919  0.577538  1
  Ta  Ta170  1  0.504581  0.304404  0.640002  1
  Ta  Ta171  1  0.504581  0.637998  0.677200  1
  Ta  Ta172  1  0.504581  0.942310  0.608982  1
  Ta  Ta173  1  0.504581  0.224986  0.669209  1
  Ta  Ta174  1  0.504581  0.549468  0.698186  1
  Ta  Ta175  1  1.004581  0.849953  0.682366  1
  Ta  Ta176  1  1.004581  0.105618  0.694760  1
  Ta  Ta177  1  1.004581  0.496979  0.610237  1
  Ta  Ta178  1  1.004581  0.074612  0.644343  1
  Ta  Ta179  1  1.004581  0.439719  0.557240  1
  Ta  Ta180  1  1.004581  0.746891  0.631629  1
  Ta  Ta181  1  0.504581  0.799067  0.665852  1
  Ta  Ta182  1  0.504581  0.166729  0.568251  1
  Ta  Ta183  1  0.504581  0.464992  0.628881  1
  Ta  Ta184  1  0.504581  0.120159  0.654586  1
  Ta  Ta185  1  0.504581  0.401810  0.698799  1
  Ta  Ta186  1  0.504581  0.780836  0.612117  1
  Ta  Ta187  1  1.004581  0.917642  0.650102  1
  Ta  Ta188  1  1.004581  0.200991  0.707370  1
  Ta  Ta189  1  1.004581  0.580648  0.613298  1
  Ta  Ta190  1  1.004581  0.008864  0.675945  1
  Ta  Ta191  1  1.004581  0.360122  0.564251  1
  Ta  Ta192  1  1.004581  0.665146  0.632831  1
  Ta  Ta193  1  0.504581  0.097251  0.599988  1
  Ta  Ta194  1  0.504581  0.385933  0.646923  1
  Ta  Ta195  1  0.504581  0.725821  0.702863  1
  Ta  Ta196  1  0.504581  0.853292  0.584892  1
  Ta  Ta197  1  0.504581  0.182454  0.622505  1
  Ta  Ta198  1  0.504581  0.474962  0.681606  1
