# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69853439
_cell_length_b   31.76958251
_cell_length_c   55.36065438
_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   8263.71123074
_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  1.010180  0.243526  0.358768  1
  Ta  Ta2  1  1.010180  0.879877  0.311851  1
  Ta  Ta3  1  1.010180  0.637071  0.400272  1
  Ta  Ta4  1  0.510180  0.037178  0.334991  1
  Ta  Ta5  1  0.510180  0.872099  0.435348  1
  Ta  Ta6  1  0.510180  0.454266  0.373651  1
  Ta  Ta7  1  1.010180  0.154163  0.302314  1
  Ta  Ta8  1  1.010180  0.994102  0.408822  1
  Ta  Ta9  1  1.010180  0.582180  0.349440  1
  Ta  Ta10  1  1.010180  0.325923  0.357154  1
  Ta  Ta11  1  1.010180  0.919101  0.360959  1
  Ta  Ta12  1  1.010180  0.515893  0.302438  1
  Ta  Ta13  1  0.510180  0.115451  0.320994  1
  Ta  Ta14  1  0.510180  0.962905  0.433719  1
  Ta  Ta15  1  0.510180  0.533320  0.372591  1
  Ta  Ta16  1  0.510180  0.956375  0.333784  1
  Ta  Ta17  1  0.510180  0.777738  0.423694  1
  Ta  Ta18  1  0.510180  0.374751  0.380345  1
  Ta  Ta19  1  1.010180  0.264635  0.407084  1
  Ta  Ta20  1  1.010180  0.835527  0.355808  1
  Ta  Ta21  1  1.010180  0.425127  0.304103  1
  Ta  Ta22  1  1.010180  0.083791  0.404447  1
  Ta  Ta23  1  1.010180  0.667902  0.350665  1
  Ta  Ta24  1  1.010180  0.247441  0.310378  1
  Ta  Ta25  1  0.510180  0.011531  0.288814  1
  Ta  Ta26  1  0.510180  0.864693  0.388339  1
  Ta  Ta27  1  0.510180  0.373479  0.330590  1
  Ta  Ta28  1  0.510180  0.122629  0.374700  1
  Ta  Ta29  1  0.510180  0.727076  0.329692  1
  Ta  Ta30  1  0.510180  0.292355  0.289712  1
  Ta  Ta31  1  1.010180  0.002838  0.358101  1
  Ta  Ta32  1  1.010180  0.605362  0.302971  1
  Ta  Ta33  1  1.010180  0.356145  0.405385  1
  Ta  Ta34  1  1.010180  0.060484  0.306233  1
  Ta  Ta35  1  1.010180  0.905749  0.411020  1
  Ta  Ta36  1  1.010180  0.495710  0.349303  1
  Ta  Ta37  1  0.510180  0.037009  0.383723  1
  Ta  Ta38  1  0.510180  0.640709  0.325224  1
  Ta  Ta39  1  0.510180  0.416201  0.426668  1
  Ta  Ta40  1  0.510180  0.326145  0.430542  1
  Ta  Ta41  1  0.510180  0.951126  0.383940  1
  Ta  Ta42  1  0.510180  0.552461  0.324032  1
  Ta  Ta43  1  1.010180  0.173347  0.402221  1
  Ta  Ta44  1  1.010180  0.746565  0.363754  1
  Ta  Ta45  1  1.010180  0.336967  0.307632  1
  Ta  Ta46  1  1.010180  0.164831  0.349330  1
  Ta  Ta47  1  1.010180  0.779549  0.320251  1
  Ta  Ta48  1  1.010180  0.543721  0.398659  1
  Ta  Ta49  1  0.510180  0.914641  0.290900  1
  Ta  Ta50  1  0.510180  0.699392  0.379047  1
  Ta  Ta51  1  0.510180  0.287467  0.336686  1
  Ta  Ta52  1  0.510180  0.208305  0.379395  1
  Ta  Ta53  1  0.510180  0.789904  0.365045  1
  Ta  Ta54  1  0.510180  0.384859  0.283561  1
  Ta  Ta55  1  1.010180  0.970795  0.309423  1
  Ta  Ta56  1  1.010180  0.815502  0.405805  1
  Ta  Ta57  1  1.010180  0.410206  0.352347  1
  Ta  Ta58  1  1.010180  0.085048  0.353108  1
  Ta  Ta59  1  1.010180  0.694585  0.305093  1
  Ta  Ta60  1  1.010180  0.449012  0.400439  1
  Ta  Ta61  1  0.510180  0.202962  0.325782  1
  Ta  Ta62  1  0.510180  0.818614  0.310365  1
  Ta  Ta63  1  0.510180  0.614836  0.373481  1
  Ta  Ta64  1  0.510180  0.292835  0.384914  1
  Ta  Ta65  1  0.510180  0.877504  0.341036  1
  Ta  Ta66  1  0.510180  0.462379  0.322971  1
  Ta  Ta67  1  1.010180  0.422480  0.499370  1
  Ta  Ta68  1  1.010180  0.025116  0.456602  1
  Ta  Ta69  1  1.010180  0.853514  0.548822  1
  Ta  Ta70  1  0.510180  0.268232  0.477443  1
  Ta  Ta71  1  0.510180  0.065516  0.576577  1
  Ta  Ta72  1  0.510180  0.658608  0.517736  1
  Ta  Ta73  1  1.010180  0.389175  0.452099  1
  Ta  Ta74  1  1.010180  0.184589  0.550246  1
  Ta  Ta75  1  1.010180  0.787354  0.504066  1
  Ta  Ta76  1  1.010180  0.512468  0.497370  1
  Ta  Ta77  1  1.010180  0.115589  0.452997  1
  Ta  Ta78  1  1.010180  0.722794  0.409306  1
  Ta  Ta79  1  0.510180  0.360141  0.476825  1
  Ta  Ta80  1  0.510180  0.155018  0.574947  1
  Ta  Ta81  1  0.510180  0.748795  0.523408  1
  Ta  Ta82  1  0.510180  0.177299  0.476945  1
  Ta  Ta83  1  0.510180  0.982499  0.567452  1
  Ta  Ta84  1  0.510180  0.572722  0.520778  1
  Ta  Ta85  1  1.010180  0.456282  0.547095  1
  Ta  Ta86  1  1.010180  0.059911  0.503030  1
  Ta  Ta87  1  1.010180  0.661576  0.452068  1
  Ta  Ta88  1  1.010180  0.274571  0.549364  1
  Ta  Ta89  1  1.010180  0.876934  0.502900  1
  Ta  Ta90  1  1.010180  0.479487  0.448982  1
  Ta  Ta91  1  0.510180  0.233663  0.429659  1
  Ta  Ta92  1  0.510180  0.032065  0.526504  1
  Ta  Ta93  1  0.510180  0.628197  0.471801  1
  Ta  Ta94  1  0.510180  0.302907  0.525117  1
  Ta  Ta95  1  0.510180  0.904801  0.482279  1
  Ta  Ta96  1  0.510180  0.504656  0.423388  1
  Ta  Ta97  1  1.010180  0.150105  0.501619  1
  Ta  Ta98  1  1.010180  0.755774  0.454218  1
  Ta  Ta99  1  1.010180  0.547275  0.545556  1
  Ta  Ta100  1  1.010180  0.297237  0.453879  1
  Ta  Ta101  1  1.010180  0.097095  0.551277  1
  Ta  Ta102  1  1.010180  0.697696  0.501569  1
  Ta  Ta103  1  0.510180  0.212088  0.525573  1
  Ta  Ta104  1  0.510180  0.811219  0.477477  1
  Ta  Ta105  1  0.510180  0.608666  0.568339  1
  Ta  Ta106  1  0.510180  0.518199  0.570251  1
  Ta  Ta107  1  0.510180  0.122142  0.526467  1
  Ta  Ta108  1  0.510180  0.721138  0.473831  1
  Ta  Ta109  1  1.010180  0.365477  0.548512  1
  Ta  Ta110  1  1.010180  0.966863  0.509842  1
  Ta  Ta111  1  1.010180  0.570039  0.447944  1
  Ta  Ta112  1  1.010180  0.331476  0.500958  1
  Ta  Ta113  1  1.010180  0.935939  0.458909  1
  Ta  Ta114  1  1.010180  0.752738  0.557740  1
  Ta  Ta115  1  0.510180  0.143137  0.427096  1
  Ta  Ta116  1  0.510180  0.926763  0.531915  1
  Ta  Ta117  1  0.510180  0.539463  0.472198  1
  Ta  Ta118  1  0.510180  0.393925  0.524085  1
  Ta  Ta119  1  0.510180  0.995046  0.481591  1
  Ta  Ta120  1  0.510180  0.593596  0.422806  1
  Ta  Ta121  1  1.010180  0.205174  0.452776  1
  Ta  Ta122  1  1.010180  0.013782  0.551916  1
  Ta  Ta123  1  1.010180  0.602619  0.496860  1
  Ta  Ta124  1  1.010180  0.240159  0.501300  1
  Ta  Ta125  1  1.010180  0.844588  0.456238  1
  Ta  Ta126  1  1.010180  0.640909  0.544715  1
  Ta  Ta127  1  0.510180  0.450419  0.474255  1
  Ta  Ta128  1  0.510180  0.053120  0.432011  1
  Ta  Ta129  1  0.510180  0.836168  0.526697  1
  Ta  Ta130  1  0.510180  0.483961  0.522277  1
  Ta  Ta131  1  0.510180  0.087573  0.478387  1
  Ta  Ta132  1  0.510180  0.682634  0.427281  1
  Ta  Ta133  1  1.010180  0.694357  0.639003  1
  Ta  Ta134  1  1.010180  0.307910  0.597184  1
  Ta  Ta135  1  1.010180  0.107847  0.699110  1
  Ta  Ta136  1  0.510180  0.460857  0.620138  1
  Ta  Ta137  1  0.510180  0.248777  0.715396  1
  Ta  Ta138  1  0.510180  0.909854  0.647260  1
  Ta  Ta139  1  1.010180  0.580655  0.593129  1
  Ta  Ta140  1  1.010180  0.371725  0.690814  1
  Ta  Ta141  1  1.010180  0.973660  0.648255  1
  Ta  Ta142  1  1.010180  0.740241  0.677489  1
  Ta  Ta143  1  1.010180  0.341184  0.644949  1
  Ta  Ta144  1  1.010180  0.935571  0.571942  1
  Ta  Ta145  1  0.510180  0.551129  0.618464  1
  Ta  Ta146  1  0.510180  0.339791  0.713960  1
  Ta  Ta147  1  0.510180  0.959179  0.687060  1
  Ta  Ta148  1  0.510180  0.370448  0.621154  1
  Ta  Ta149  1  0.510180  0.155719  0.715089  1
  Ta  Ta150  1  0.510180  0.769959  0.656149  1
  Ta  Ta151  1  1.010180  0.645121  0.686344  1
  Ta  Ta152  1  1.010180  0.250472  0.646157  1
  Ta  Ta153  1  1.010180  0.837453  0.593124  1
  Ta  Ta154  1  1.010180  0.461949  0.689225  1
  Ta  Ta155  1  1.010180  0.071620  0.653685  1
  Ta  Ta156  1  1.010180  0.673237  0.591603  1
  Ta  Ta157  1  0.510180  0.427703  0.571851  1
  Ta  Ta158  1  0.510180  0.220578  0.669891  1
  Ta  Ta159  1  0.510180  0.832002  0.622503  1
  Ta  Ta160  1  0.510180  0.496511  0.667371  1
  Ta  Ta161  1  0.510180  0.095501  0.623383  1
  Ta  Ta162  1  0.510180  0.696440  0.564069  1
  Ta  Ta163  1  1.010180  0.431618  0.643992  1
  Ta  Ta164  1  1.010180  0.026866  0.604214  1
  Ta  Ta165  1  1.010180  0.814208  0.699784  1
  Ta  Ta166  1  1.010180  0.489556  0.594857  1
  Ta  Ta167  1  1.010180  0.284213  0.693670  1
  Ta  Ta168  1  1.010180  0.905530  0.619585  1
  Ta  Ta169  1  0.510180  0.404109  0.669892  1
  Ta  Ta170  1  0.510180  0.021767  0.651224  1
  Ta  Ta171  1  0.510180  0.849990  0.682330  1
  Ta  Ta172  1  0.510180  0.758812  0.704530  1
  Ta  Ta173  1  0.510180  0.311419  0.668797  1
  Ta  Ta174  1  0.510180  0.968186  0.612005  1
  Ta  Ta175  1  1.010180  0.552725  0.687672  1
  Ta  Ta176  1  1.010180  0.159874  0.647434  1
  Ta  Ta177  1  1.010180  0.768258  0.616572  1
  Ta  Ta178  1  1.010180  0.610109  0.641164  1
  Ta  Ta179  1  1.010180  0.216492  0.598240  1
  Ta  Ta180  1  1.010180  0.010020  0.691725  1
  Ta  Ta181  1  0.510180  0.336856  0.572954  1
  Ta  Ta182  1  0.510180  0.130397  0.669048  1
  Ta  Ta183  1  0.510180  0.727447  0.610417  1
  Ta  Ta184  1  0.510180  0.588328  0.666059  1
  Ta  Ta185  1  0.510180  0.187629  0.622259  1
  Ta  Ta186  1  0.510180  0.794622  0.574162  1
  Ta  Ta187  1  1.010180  0.398867  0.596277  1
  Ta  Ta188  1  1.010180  0.194993  0.694677  1
  Ta  Ta189  1  1.010180  0.834366  0.651533  1
  Ta  Ta190  1  1.010180  0.521675  0.642483  1
  Ta  Ta191  1  1.010180  0.123645  0.600107  1
  Ta  Ta192  1  1.010180  0.907253  0.680974  1
  Ta  Ta193  1  0.510180  0.640170  0.616511  1
  Ta  Ta194  1  0.510180  0.245753  0.573693  1
  Ta  Ta195  1  0.510180  0.058749  0.695650  1
  Ta  Ta196  1  0.510180  0.680979  0.665203  1
  Ta  Ta197  1  0.510180  0.278973  0.621390  1
  Ta  Ta198  1  0.510180  0.888188  0.581402  1
