# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71033717
_cell_length_b   17.96556723
_cell_length_c   52.02989382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.04038973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   7207.20932479
_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  0.003210  1.002169  0.387261  1
  Ta  Ta2  1  0.992217  0.216246  0.330363  1
  Ta  Ta3  1  0.992004  0.426949  0.275008  1
  Ta  Ta4  1  0.506008  0.716229  0.330362  1
  Ta  Ta5  1  0.505948  0.926936  0.274981  1
  Ta  Ta6  1  0.495125  0.502174  0.387269  1
  Ta  Ta7  1  0.754150  0.939235  0.356627  1
  Ta  Ta8  1  0.729982  0.150947  0.301997  1
  Ta  Ta9  1  0.752400  0.720359  0.411975  1
  Ta  Ta10  1  0.247446  0.726572  0.255334  1
  Ta  Ta11  1  0.237015  0.282440  0.362130  1
  Ta  Ta12  1  0.253694  0.492192  0.306509  1
  Ta  Ta13  1  0.436423  0.612025  0.282660  1
  Ta  Ta14  1  0.413014  0.190163  0.397963  1
  Ta  Ta15  1  0.413370  0.402532  0.342729  1
  Ta  Ta16  1  0.590228  0.813447  0.376542  1
  Ta  Ta17  1  0.568574  0.029950  0.319470  1
  Ta  Ta18  1  0.580832  0.245214  0.263942  1
  Ta  Ta19  1  0.917337  0.745123  0.263947  1
  Ta  Ta20  1  0.908128  0.313434  0.376551  1
  Ta  Ta21  1  0.929673  0.529938  0.319496  1
  Ta  Ta22  1  0.084895  0.902555  0.342718  1
  Ta  Ta23  1  0.061711  0.112027  0.282665  1
  Ta  Ta24  1  0.085381  0.690205  0.397969  1
  Ta  Ta25  1  0.261289  0.782486  0.362117  1
  Ta  Ta26  1  0.244464  0.992179  0.306490  1
  Ta  Ta27  1  0.250704  0.226611  0.255326  1
  Ta  Ta28  1  0.768148  0.650820  0.302000  1
  Ta  Ta29  1  0.746014  0.220336  0.411978  1
  Ta  Ta30  1  0.744172  0.439244  0.356640  1
  Ta  Ta31  1  0.397779  0.961184  0.368122  1
  Ta  Ta32  1  0.360571  0.172541  0.312443  1
  Ta  Ta33  1  0.419399  0.396998  0.263088  1
  Ta  Ta34  1  0.607311  0.041543  0.405887  1
  Ta  Ta35  1  0.590699  0.249887  0.350980  1
  Ta  Ta36  1  0.631672  0.463920  0.300575  1
  Ta  Ta37  1  0.732295  0.535729  0.259648  1
  Ta  Ta38  1  0.692691  0.109631  0.361441  1
  Ta  Ta39  1  0.676371  0.318190  0.307676  1
  Ta  Ta40  1  0.312475  0.889721  0.412207  1
  Ta  Ta41  1  0.313298  0.103480  0.357558  1
  Ta  Ta42  1  0.298399  0.319505  0.301586  1
  Ta  Ta43  1  0.199809  0.819484  0.301587  1
  Ta  Ta44  1  0.185892  0.389717  0.412209  1
  Ta  Ta45  1  0.184947  0.603534  0.357566  1
  Ta  Ta46  1  0.821900  0.818086  0.307688  1
  Ta  Ta47  1  0.765587  0.035831  0.259675  1
  Ta  Ta48  1  0.805535  0.609639  0.361451  1
  Ta  Ta49  1  0.907608  0.749880  0.350988  1
  Ta  Ta50  1  0.866411  0.963815  0.300552  1
  Ta  Ta51  1  0.891037  0.541568  0.405888  1
  Ta  Ta52  1  0.137625  0.672536  0.312442  1
  Ta  Ta53  1  0.078759  0.896876  0.263082  1
  Ta  Ta54  1  0.100661  0.461177  0.368134  1
  Ta  Ta55  1  0.491637  0.873651  0.325282  1
  Ta  Ta56  1  0.433428  0.088666  0.269072  1
  Ta  Ta57  1  0.470571  0.659130  0.382559  1
  Ta  Ta58  1  0.544731  0.769755  0.278465  1
  Ta  Ta59  1  0.525653  0.344627  0.391971  1
  Ta  Ta60  1  0.513017  0.564244  0.335457  1
  Ta  Ta61  1  0.972698  0.844663  0.391964  1
  Ta  Ta62  1  0.985142  0.064255  0.335427  1
  Ta  Ta63  1  0.953496  0.269774  0.278457  1
  Ta  Ta64  1  0.064610  0.588600  0.269078  1
  Ta  Ta65  1  0.027758  0.159083  0.382558  1
  Ta  Ta66  1  0.006699  0.373617  0.325307  1
  Ta  Ta67  1  0.997838  0.357775  0.554399  1
  Ta  Ta68  1  0.999248  0.572592  0.498767  1
  Ta  Ta69  1  1.000658  0.787409  0.443135  1
  Ta  Ta70  1  0.499248  0.072592  0.498767  1
  Ta  Ta71  1  0.497802  0.287403  0.443133  1
  Ta  Ta72  1  0.500694  0.857781  0.554401  1
  Ta  Ta73  1  0.746482  0.292277  0.523720  1
  Ta  Ta74  1  0.747511  0.506682  0.467936  1
  Ta  Ta75  1  0.748845  0.077995  0.579296  1
  Ta  Ta76  1  0.249651  0.067189  0.418238  1
  Ta  Ta77  1  0.250985  0.638502  0.529598  1
  Ta  Ta78  1  0.252014  0.852907  0.473813  1
  Ta  Ta79  1  0.421515  0.974746  0.452884  1
  Ta  Ta80  1  0.419988  0.545996  0.564430  1
  Ta  Ta81  1  0.422488  0.760373  0.508563  1
  Ta  Ta82  1  0.576981  0.170438  0.544650  1
  Ta  Ta83  1  0.576008  0.384811  0.488971  1
  Ta  Ta84  1  0.578508  0.599188  0.433104  1
  Ta  Ta85  1  0.919900  0.099147  0.433099  1
  Ta  Ta86  1  0.921576  0.670415  0.544651  1
  Ta  Ta87  1  0.922470  0.884786  0.488972  1
  Ta  Ta88  1  0.076025  0.260398  0.508562  1
  Ta  Ta89  1  0.076920  0.474769  0.452882  1
  Ta  Ta90  1  0.078596  0.046037  0.564434  1
  Ta  Ta91  1  0.247535  0.138515  0.529588  1
  Ta  Ta92  1  0.246430  0.352910  0.473801  1
  Ta  Ta93  1  0.248719  0.567217  0.418234  1
  Ta  Ta94  1  0.750961  0.006669  0.467946  1
  Ta  Ta95  1  0.749777  0.577968  0.579300  1
  Ta  Ta96  1  0.752066  0.792275  0.523733  1
  Ta  Ta97  1  0.387462  0.318289  0.536087  1
  Ta  Ta98  1  0.389837  0.533264  0.480280  1
  Ta  Ta99  1  0.396567  0.748642  0.424470  1
  Ta  Ta100  1  0.601929  0.396542  0.573064  1
  Ta  Ta101  1  0.608659  0.611920  0.517254  1
  Ta  Ta102  1  0.611034  0.826895  0.461447  1
  Ta  Ta103  1  0.691863  0.899637  0.417508  1
  Ta  Ta104  1  0.688272  0.470166  0.529375  1
  Ta  Ta105  1  0.690559  0.685031  0.473476  1
  Ta  Ta106  1  0.306633  0.245548  0.580025  1
  Ta  Ta107  1  0.307937  0.460154  0.524058  1
  Ta  Ta108  1  0.310224  0.675018  0.468159  1
  Ta  Ta109  1  0.188214  0.175042  0.468158  1
  Ta  Ta110  1  0.191961  0.745547  0.580023  1
  Ta  Ta111  1  0.190546  0.960197  0.524061  1
  Ta  Ta112  1  0.807950  0.184988  0.473472  1
  Ta  Ta113  1  0.806535  0.399637  0.417511  1
  Ta  Ta114  1  0.810282  0.970142  0.529376  1
  Ta  Ta115  1  0.889811  0.111916  0.517254  1
  Ta  Ta116  1  0.887360  0.326878  0.461443  1
  Ta  Ta117  1  0.896582  0.896574  0.573065  1
  Ta  Ta118  1  0.108685  0.033268  0.480279  1
  Ta  Ta119  1  0.101914  0.248610  0.424469  1
  Ta  Ta120  1  0.111136  0.818307  0.536091  1
  Ta  Ta121  1  0.467483  0.229455  0.494168  1
  Ta  Ta122  1  0.466853  0.443760  0.438386  1
  Ta  Ta123  1  0.470153  0.015020  0.549681  1
  Ta  Ta124  1  0.528343  0.130165  0.447853  1
  Ta  Ta125  1  0.531643  0.701425  0.559148  1
  Ta  Ta126  1  0.531013  0.915729  0.503365  1
  Ta  Ta127  1  0.966906  0.201444  0.559140  1
  Ta  Ta128  1  0.967428  0.415746  0.503353  1
  Ta  Ta129  1  0.970048  0.630195  0.447849  1
  Ta  Ta130  1  0.031590  0.943740  0.438394  1
  Ta  Ta131  1  0.028448  0.514990  0.549684  1
  Ta  Ta132  1  0.031068  0.729439  0.494181  1
  Ta  Ta133  1  0.006492  0.718235  0.722526  1
  Ta  Ta134  1  0.006279  0.928938  0.667171  1
  Ta  Ta135  1  0.995286  0.143015  0.610273  1
  Ta  Ta136  1  0.492488  0.428956  0.667172  1
  Ta  Ta137  1  0.503371  0.643010  0.610264  1
  Ta  Ta138  1  0.492548  0.218248  0.722553  1
  Ta  Ta139  1  0.744802  0.652992  0.691025  1
  Ta  Ta140  1  0.761481  0.862744  0.635403  1
  Ta  Ta141  1  0.751050  0.418612  0.742200  1
  Ta  Ta142  1  0.246096  0.424825  0.585558  1
  Ta  Ta143  1  0.268514  0.994238  0.695537  1
  Ta  Ta144  1  0.244346  0.205949  0.640906  1
  Ta  Ta145  1  0.408268  0.331737  0.620992  1
  Ta  Ta146  1  0.417664  0.899970  0.733592  1
  Ta  Ta147  1  0.429922  0.115235  0.678063  1
  Ta  Ta148  1  0.562073  0.533159  0.714873  1
  Ta  Ta149  1  0.585126  0.742652  0.654805  1
  Ta  Ta150  1  0.585482  0.955021  0.599571  1
  Ta  Ta151  1  0.913115  0.454979  0.599565  1
  Ta  Ta152  1  0.936785  0.033157  0.714868  1
  Ta  Ta153  1  0.913601  0.242629  0.654816  1
  Ta  Ta154  1  0.068823  0.615247  0.678038  1
  Ta  Ta155  1  0.090368  0.831750  0.620983  1
  Ta  Ta156  1  0.081159  0.400061  0.733587  1
  Ta  Ta157  1  0.230348  0.494364  0.695534  1
  Ta  Ta158  1  0.254324  0.705940  0.640893  1
  Ta  Ta159  1  0.252482  0.924849  0.585556  1
  Ta  Ta160  1  0.737207  0.362698  0.635417  1
  Ta  Ta161  1  0.747792  0.918574  0.742208  1
  Ta  Ta162  1  0.754032  0.153005  0.691043  1
  Ta  Ta163  1  0.366824  0.681264  0.696959  1
  Ta  Ta164  1  0.407797  0.895298  0.646554  1
  Ta  Ta165  1  0.391185  0.103641  0.591647  1
  Ta  Ta166  1  0.579097  0.748186  0.734446  1
  Ta  Ta167  1  0.637925  0.972644  0.685091  1
  Ta  Ta168  1  0.600717  0.184000  0.629411  1
  Ta  Ta169  1  0.686021  0.255463  0.585326  1
  Ta  Ta170  1  0.700097  0.825679  0.695948  1
  Ta  Ta171  1  0.685198  0.041705  0.639976  1
  Ta  Ta172  1  0.266201  0.609455  0.737886  1
  Ta  Ta173  1  0.322125  0.826994  0.689857  1
  Ta  Ta174  1  0.305805  0.035553  0.636093  1
  Ta  Ta175  1  0.192961  0.535545  0.636083  1
  Ta  Ta176  1  0.232909  0.109354  0.737859  1
  Ta  Ta177  1  0.176595  0.327098  0.689846  1
  Ta  Ta178  1  0.813549  0.541651  0.639968  1
  Ta  Ta179  1  0.812604  0.755467  0.585324  1
  Ta  Ta180  1  0.798687  0.325700  0.695947  1
  Ta  Ta181  1  0.860871  0.472648  0.685092  1
  Ta  Ta182  1  0.897835  0.684007  0.629400  1
  Ta  Ta183  1  0.919737  0.248308  0.734451  1
  Ta  Ta184  1  0.090888  0.395305  0.646546  1
  Ta  Ta185  1  0.107459  0.603616  0.591646  1
  Ta  Ta186  1  0.132085  0.181369  0.696982  1
  Ta  Ta187  1  0.485479  0.580940  0.662077  1
  Ta  Ta188  1  0.472843  0.800557  0.605563  1
  Ta  Ta189  1  0.453765  0.375429  0.719069  1
  Ta  Ta190  1  0.527925  0.486055  0.614975  1
  Ta  Ta191  1  0.565068  0.056518  0.728462  1
  Ta  Ta192  1  0.506859  0.271534  0.672251  1
  Ta  Ta193  1  0.933886  0.556584  0.728456  1
  Ta  Ta194  1  0.991797  0.771567  0.672227  1
  Ta  Ta195  1  0.970738  0.986101  0.614976  1
  Ta  Ta196  1  0.025798  0.300521  0.605570  1
  Ta  Ta197  1  0.045000  0.875410  0.719076  1
  Ta  Ta198  1  0.013354  0.080929  0.662107  1
