# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.80983135
_cell_length_b   16.11355304
_cell_length_c   47.71187823
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96810170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta198
_cell_volume   8310.68224435
_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  0.996923  0.973901  0.356886  1
  Ta  Ta2  1  0.993957  0.726475  0.309812  1
  Ta  Ta3  1  0.997344  0.224068  0.405757  1
  Ta  Ta4  1  0.499016  0.226435  0.309819  1
  Ta  Ta5  1  0.495662  0.724071  0.405750  1
  Ta  Ta6  1  0.496054  0.473864  0.356884  1
  Ta  Ta7  1  0.857953  0.039643  0.313241  1
  Ta  Ta8  1  0.827662  0.544247  0.415718  1
  Ta  Ta9  1  0.811577  0.284320  0.370526  1
  Ta  Ta10  1  0.175848  0.915643  0.393122  1
  Ta  Ta11  1  0.170133  0.662985  0.346152  1
  Ta  Ta12  1  0.163764  0.410889  0.298838  1
  Ta  Ta13  1  0.197069  0.235414  0.302995  1
  Ta  Ta14  1  0.170582  0.741870  0.397115  1
  Ta  Ta15  1  0.163048  0.488619  0.349505  1
  Ta  Ta16  1  0.736972  0.194624  0.323579  1
  Ta  Ta17  1  0.736897  0.699783  0.423108  1
  Ta  Ta18  1  0.741271  0.448244  0.370725  1
  Ta  Ta19  1  0.329912  0.988589  0.349502  1
  Ta  Ta20  1  0.295805  0.735375  0.302978  1
  Ta  Ta21  1  0.322461  0.241853  0.397111  1
  Ta  Ta22  1  0.751700  0.948276  0.370728  1
  Ta  Ta23  1  0.756039  0.694619  0.323580  1
  Ta  Ta24  1  0.756084  0.199790  0.423090  1
  Ta  Ta25  1  0.665375  0.044236  0.415726  1
  Ta  Ta26  1  0.681579  0.784291  0.370539  1
  Ta  Ta27  1  0.635066  0.539657  0.313249  1
  Ta  Ta28  1  0.322868  0.162957  0.346150  1
  Ta  Ta29  1  0.329239  0.910844  0.298839  1
  Ta  Ta30  1  0.317145  0.415633  0.393116  1
  Ta  Ta31  1  0.935375  0.865725  0.418204  1
  Ta  Ta32  1  0.935021  0.625429  0.372136  1
  Ta  Ta33  1  0.944054  0.353972  0.325975  1
  Ta  Ta34  1  0.143608  0.048474  0.314420  1
  Ta  Ta35  1  0.130660  0.555763  0.407862  1
  Ta  Ta36  1  0.136307  0.301905  0.361613  1
  Ta  Ta37  1  0.003779  0.176196  0.337758  1
  Ta  Ta38  1  0.027996  0.912262  0.290745  1
  Ta  Ta39  1  0.989159  0.426497  0.384432  1
  Ta  Ta40  1  0.950902  0.039715  0.416322  1
  Ta  Ta41  1  0.944792  0.791692  0.368102  1
  Ta  Ta42  1  0.907395  0.530008  0.326602  1
  Ta  Ta43  1  0.503854  0.926473  0.384433  1
  Ta  Ta44  1  0.489191  0.676163  0.337740  1
  Ta  Ta45  1  0.464937  0.412218  0.290754  1
  Ta  Ta46  1  0.585557  0.029983  0.326592  1
  Ta  Ta47  1  0.542137  0.539713  0.416309  1
  Ta  Ta48  1  0.548288  0.291630  0.368111  1
  Ta  Ta49  1  0.557964  0.125345  0.372132  1
  Ta  Ta50  1  0.549001  0.853955  0.325989  1
  Ta  Ta51  1  0.557595  0.365726  0.418206  1
  Ta  Ta52  1  0.362377  0.055754  0.407862  1
  Ta  Ta53  1  0.356697  0.801903  0.361608  1
  Ta  Ta54  1  0.349370  0.548442  0.314419  1
  Ta  Ta55  1  0.658459  0.865107  0.425102  1
  Ta  Ta56  1  0.665158  0.609724  0.371173  1
  Ta  Ta57  1  0.673441  0.368454  0.321270  1
  Ta  Ta58  1  0.375112  0.083614  0.293647  1
  Ta  Ta59  1  0.350620  0.599251  0.381440  1
  Ta  Ta60  1  0.349460  0.349620  0.335603  1
  Ta  Ta61  1  0.827838  0.109731  0.371177  1
  Ta  Ta62  1  0.819528  0.868480  0.321274  1
  Ta  Ta63  1  0.834543  0.365125  0.425096  1
  Ta  Ta64  1  0.142394  0.099248  0.381443  1
  Ta  Ta65  1  0.143536  0.849643  0.335593  1
  Ta  Ta66  1  0.117782  0.583657  0.293652  1
  Ta  Ta67  1  0.996527  0.731077  0.501150  1
  Ta  Ta68  1  0.991464  0.480209  0.452714  1
  Ta  Ta69  1  0.001590  0.981946  0.549585  1
  Ta  Ta70  1  0.501578  0.980201  0.452713  1
  Ta  Ta71  1  0.491476  0.481954  0.549586  1
  Ta  Ta72  1  0.496527  0.231077  0.501150  1
  Ta  Ta73  1  0.824919  0.799231  0.466841  1
  Ta  Ta74  1  0.811340  0.295838  0.562413  1
  Ta  Ta75  1  0.823446  0.043831  0.515027  1
  Ta  Ta76  1  0.168135  0.662924  0.535458  1
  Ta  Ta77  1  0.169608  0.418324  0.487272  1
  Ta  Ta78  1  0.181715  0.166317  0.439887  1
  Ta  Ta79  1  0.176322  0.992897  0.444355  1
  Ta  Ta80  1  0.199848  0.488660  0.542875  1
  Ta  Ta81  1  0.186673  0.238388  0.492495  1
  Ta  Ta82  1  0.793206  0.973494  0.459424  1
  Ta  Ta83  1  0.816732  0.469258  0.557944  1
  Ta  Ta84  1  0.806381  0.223767  0.509805  1
  Ta  Ta85  1  0.306357  0.738383  0.492494  1
  Ta  Ta86  1  0.316797  0.492855  0.444345  1
  Ta  Ta87  1  0.293269  0.988639  0.542885  1
  Ta  Ta88  1  0.686697  0.723772  0.509805  1
  Ta  Ta89  1  0.699785  0.473516  0.459415  1
  Ta  Ta90  1  0.676257  0.969300  0.557955  1
  Ta  Ta91  1  0.681726  0.795867  0.562413  1
  Ta  Ta92  1  0.669544  0.543849  0.515026  1
  Ta  Ta93  1  0.668138  0.299208  0.466838  1
  Ta  Ta94  1  0.323510  0.918305  0.487274  1
  Ta  Ta95  1  0.311328  0.666288  0.439887  1
  Ta  Ta96  1  0.324916  0.162947  0.535461  1
  Ta  Ta97  1  0.857802  0.653898  0.546788  1
  Ta  Ta98  1  0.851216  0.405119  0.499021  1
  Ta  Ta99  1  0.953030  0.119652  0.468423  1
  Ta  Ta100  1  0.135253  0.808257  0.455512  1
  Ta  Ta101  1  0.040024  0.342503  0.533876  1
  Ta  Ta102  1  0.141839  0.057036  0.503278  1
  Ta  Ta103  1  0.007569  0.928535  0.483402  1
  Ta  Ta104  1  0.989645  0.683409  0.432830  1
  Ta  Ta105  1  0.023635  0.174931  0.534937  1
  Ta  Ta106  1  0.003409  0.778746  0.569469  1
  Ta  Ta107  1  0.985485  0.533620  0.518897  1
  Ta  Ta108  1  0.969419  0.287224  0.467362  1
  Ta  Ta109  1  0.469456  0.674901  0.534925  1
  Ta  Ta110  1  0.485505  0.428482  0.483401  1
  Ta  Ta111  1  0.503396  0.183400  0.432832  1
  Ta  Ta112  1  0.523598  0.787254  0.467375  1
  Ta  Ta113  1  0.489659  0.278755  0.569467  1
  Ta  Ta114  1  0.507549  0.033673  0.518898  1
  Ta  Ta115  1  0.641812  0.905116  0.499031  1
  Ta  Ta116  1  0.540007  0.619672  0.468419  1
  Ta  Ta117  1  0.635282  0.153920  0.546782  1
  Ta  Ta118  1  0.453047  0.842483  0.533881  1
  Ta  Ta119  1  0.351242  0.557039  0.503268  1
  Ta  Ta120  1  0.357773  0.308235  0.455517  1
  Ta  Ta121  1  0.638696  0.609096  0.573807  1
  Ta  Ta122  1  0.633842  0.358667  0.526571  1
  Ta  Ta123  1  0.656742  0.112644  0.475980  1
  Ta  Ta124  1  0.354358  0.853059  0.428492  1
  Ta  Ta125  1  0.336312  0.349511  0.526320  1
  Ta  Ta126  1  0.359212  0.103487  0.475728  1
  Ta  Ta127  1  0.859225  0.858676  0.526576  1
  Ta  Ta128  1  0.836297  0.612633  0.475981  1
  Ta  Ta129  1  0.854383  0.109081  0.573807  1
  Ta  Ta130  1  0.156757  0.849522  0.526318  1
  Ta  Ta131  1  0.133829  0.603478  0.475723  1
  Ta  Ta132  1  0.138671  0.353074  0.428492  1
  Ta  Ta133  1  0.996131  0.488254  0.645413  1
  Ta  Ta134  1  0.995710  0.238087  0.596542  1
  Ta  Ta135  1  -0.000903  0.735679  0.692487  1
  Ta  Ta136  1  0.497392  0.738083  0.596549  1
  Ta  Ta137  1  0.494038  0.235719  0.692480  1
  Ta  Ta138  1  0.497000  0.988291  0.645415  1
  Ta  Ta139  1  0.817207  0.546511  0.609177  1
  Ta  Ta140  1  0.829290  0.051266  0.703461  1
  Ta  Ta141  1  0.822921  0.799170  0.656147  1
  Ta  Ta142  1  0.135101  0.422512  0.689058  1
  Ta  Ta143  1  0.181477  0.177835  0.631773  1
  Ta  Ta144  1  0.165392  0.917907  0.586581  1
  Ta  Ta145  1  0.256157  0.762372  0.579192  1
  Ta  Ta146  1  0.256082  0.267531  0.678720  1
  Ta  Ta147  1  0.251783  0.013911  0.631574  1
  Ta  Ta148  1  0.822472  0.720285  0.605185  1
  Ta  Ta149  1  0.795985  0.226741  0.699305  1
  Ta  Ta150  1  0.830006  0.973535  0.652795  1
  Ta  Ta151  1  0.241354  0.513879  0.631571  1
  Ta  Ta152  1  0.236970  0.262365  0.579209  1
  Ta  Ta153  1  0.237015  0.767536  0.678719  1
  Ta  Ta154  1  0.663142  0.473566  0.652797  1
  Ta  Ta155  1  0.670594  0.220301  0.605188  1
  Ta  Ta156  1  0.697249  0.726780  0.699322  1
  Ta  Ta157  1  0.663815  0.551311  0.703460  1
  Ta  Ta158  1  0.670186  0.299198  0.656150  1
  Ta  Ta159  1  0.675909  0.046521  0.609183  1
  Ta  Ta160  1  0.311475  0.677863  0.631760  1
  Ta  Ta161  1  0.327679  0.417919  0.586573  1
  Ta  Ta162  1  0.357988  0.922498  0.689050  1
  Ta  Ta163  1  0.849446  0.413680  0.687879  1
  Ta  Ta164  1  0.856747  0.160250  0.640686  1
  Ta  Ta165  1  0.862394  0.906392  0.594438  1
  Ta  Ta166  1  0.057680  0.596430  0.584096  1
  Ta  Ta167  1  0.049001  0.108183  0.676325  1
  Ta  Ta168  1  0.058033  0.836726  0.630164  1
  Ta  Ta169  1  0.048262  0.670463  0.634198  1
  Ta  Ta170  1  0.042152  0.422440  0.585977  1
  Ta  Ta171  1  0.085659  0.932147  0.675697  1
  Ta  Ta172  1  0.965058  0.549893  0.711555  1
  Ta  Ta173  1  0.989275  0.285959  0.664541  1
  Ta  Ta174  1  0.003895  0.035658  0.617867  1
  Ta  Ta175  1  0.407498  0.432172  0.675707  1
  Ta  Ta176  1  0.444766  0.170525  0.634188  1
  Ta  Ta177  1  0.450917  0.922442  0.585990  1
  Ta  Ta178  1  0.489200  0.535682  0.617866  1
  Ta  Ta179  1  0.528118  0.049937  0.711546  1
  Ta  Ta180  1  0.503864  0.785992  0.664560  1
  Ta  Ta181  1  0.636357  0.660252  0.640691  1
  Ta  Ta182  1  0.630677  0.406401  0.594437  1
  Ta  Ta183  1  0.643684  0.913712  0.687880  1
  Ta  Ta184  1  0.444053  0.608200  0.676311  1
  Ta  Ta185  1  0.435090  0.336810  0.630167  1
  Ta  Ta186  1  0.435459  0.096429  0.584093  1
  Ta  Ta187  1  0.617942  0.378540  0.708653  1
  Ta  Ta188  1  0.643594  0.112535  0.666697  1
  Ta  Ta189  1  0.642434  0.862904  0.620859  1
  Ta  Ta190  1  0.334595  0.597048  0.577198  1
  Ta  Ta191  1  0.319613  0.093701  0.681029  1
  Ta  Ta192  1  0.327897  0.852431  0.631127  1
  Ta  Ta193  1  0.849518  0.612512  0.666707  1
  Ta  Ta194  1  0.850660  0.362907  0.620856  1
  Ta  Ta195  1  0.875272  0.878498  0.708647  1
  Ta  Ta196  1  0.173526  0.593675  0.681025  1
  Ta  Ta197  1  0.165216  0.352424  0.631123  1
  Ta  Ta198  1  0.158511  0.097030  0.577203  1
