# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.80072120
_cell_length_b   12.22396328
_cell_length_c   54.34917936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95767667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7175.59080699
_cell_formula_units_Z   176
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  0.997378  0.226168  0.304549  1
  Ta  Ta2  1  0.996806  0.517810  0.360521  1
  Ta  Ta3  1  0.493220  0.163013  0.386592  1
  Ta  Ta4  1  0.491820  0.868266  0.333518  1
  Ta  Ta5  1  0.812478  0.910809  0.388326  1
  Ta  Ta6  1  0.804278  0.612153  0.331951  1
  Ta  Ta7  1  0.169544  0.121713  0.333488  1
  Ta  Ta8  1  0.139424  0.821844  0.281902  1
  Ta  Ta9  1  0.180633  0.190006  0.381625  1
  Ta  Ta10  1  0.170867  0.895214  0.327105  1
  Ta  Ta11  1  0.712547  0.522533  0.290609  1
  Ta  Ta12  1  0.737408  0.826399  0.341654  1
  Ta  Ta13  1  0.279092  0.243317  0.297183  1
  Ta  Ta14  1  0.311946  0.541757  0.353893  1
  Ta  Ta15  1  0.748290  0.180065  0.313576  1
  Ta  Ta16  1  0.750632  0.472331  0.372155  1
  Ta  Ta17  1  0.685899  0.258649  0.360435  1
  Ta  Ta18  1  0.660425  0.966946  0.299830  1
  Ta  Ta19  1  0.332397  0.474169  0.306398  1
  Ta  Ta20  1  0.315832  0.766910  0.360790  1
  Ta  Ta21  1  0.929521  0.054255  0.355303  1
  Ta  Ta22  1  0.905381  0.755000  0.299981  1
  Ta  Ta23  1  0.131042  0.942763  0.381208  1
  Ta  Ta24  1  0.125334  0.649293  0.326006  1
  Ta  Ta25  1  0.001758  0.504309  0.298548  1
  Ta  Ta26  1  0.988233  0.796936  0.353261  1
  Ta  Ta27  1  0.952380  0.270029  0.361928  1
  Ta  Ta28  1  0.924221  0.980080  0.309598  1
  Ta  Ta29  1  0.488203  0.143557  0.324544  1
  Ta  Ta30  1  0.495684  0.442489  0.381453  1
  Ta  Ta31  1  0.521906  0.312766  0.288633  1
  Ta  Ta32  1  0.538213  0.624128  0.334684  1
  Ta  Ta33  1  0.577157  0.407553  0.329903  1
  Ta  Ta34  1  0.567458  0.693438  0.380932  1
  Ta  Ta35  1  0.363299  0.295628  0.350425  1
  Ta  Ta36  1  0.357099  0.984030  0.298319  1
  Ta  Ta37  1  0.662744  0.034954  0.351403  1
  Ta  Ta38  1  0.634430  0.740494  0.295597  1
  Ta  Ta39  1  0.352662  0.015634  0.360288  1
  Ta  Ta40  1  0.347901  0.721467  0.306102  1
  Ta  Ta41  1  0.842242  0.387420  0.324785  1
  Ta  Ta42  1  0.833277  0.683351  0.382497  1
  Ta  Ta43  1  0.138435  0.373150  0.333562  1
  Ta  Ta44  1  0.133478  0.053813  0.282025  1
  Ta  Ta45  1  -0.000730  0.810666  0.415801  1
  Ta  Ta46  1  -0.000646  0.103046  0.471769  1
  Ta  Ta47  1  0.498129  0.752940  0.498213  1
  Ta  Ta48  1  0.491223  0.456436  0.444017  1
  Ta  Ta49  1  0.824466  0.511903  0.500645  1
  Ta  Ta50  1  0.812102  0.204304  0.445922  1
  Ta  Ta51  1  0.175926  0.708283  0.442944  1
  Ta  Ta52  1  0.172740  0.414509  0.388460  1
  Ta  Ta53  1  0.180154  0.772913  0.491975  1
  Ta  Ta54  1  0.176900  0.481403  0.436900  1
  Ta  Ta55  1  0.739804  0.120366  0.399686  1
  Ta  Ta56  1  0.737369  0.413193  0.457207  1
  Ta  Ta57  1  0.314664  0.835405  0.408942  1
  Ta  Ta58  1  0.315461  0.127913  0.464008  1
  Ta  Ta59  1  0.752831  0.766018  0.428159  1
  Ta  Ta60  1  0.757768  0.057802  0.486539  1
  Ta  Ta61  1  0.662204  0.863540  0.470482  1
  Ta  Ta62  1  0.676585  0.556841  0.417418  1
  Ta  Ta63  1  0.319957  0.061317  0.415231  1
  Ta  Ta64  1  0.314797  0.352746  0.470536  1
  Ta  Ta65  1  0.934185  0.628524  0.462360  1
  Ta  Ta66  1  0.921445  0.338376  0.408802  1
  Ta  Ta67  1  0.134987  0.526844  0.490801  1
  Ta  Ta68  1  0.130977  0.236228  0.436029  1
  Ta  Ta69  1  0.992776  0.092622  0.408801  1
  Ta  Ta70  1  0.988725  0.381046  0.464061  1
  Ta  Ta71  1  0.956241  0.852081  0.471431  1
  Ta  Ta72  1  0.949147  0.554371  0.416423  1
  Ta  Ta73  1  0.500365  0.734359  0.435434  1
  Ta  Ta74  1  0.502538  0.028404  0.492100  1
  Ta  Ta75  1  0.543722  0.911237  0.387906  1
  Ta  Ta76  1  0.541574  0.201760  0.444779  1
  Ta  Ta77  1  0.567829  0.989019  0.433891  1
  Ta  Ta78  1  0.556912  0.273040  0.491013  1
  Ta  Ta79  1  0.361982  0.882803  0.462834  1
  Ta  Ta80  1  0.358836  0.588806  0.408350  1
  Ta  Ta81  1  0.653784  0.623803  0.468802  1
  Ta  Ta82  1  0.653819  0.329268  0.410836  1
  Ta  Ta83  1  0.354974  0.605389  0.470365  1
  Ta  Ta84  1  0.355002  0.309485  0.415785  1
  Ta  Ta85  1  0.836535  0.978908  0.438538  1
  Ta  Ta86  1  0.835581  0.271948  0.497988  1
  Ta  Ta87  1  0.138892  0.958830  0.442790  1
  Ta  Ta88  1  0.135832  0.663823  0.388189  1
  Ta  Ta89  1  0.996613  0.399343  0.526568  1
  Ta  Ta90  1  0.001385  0.684811  0.582614  1
  Ta  Ta91  1  0.497121  0.334278  0.611140  1
  Ta  Ta92  1  0.496132  0.040416  0.554499  1
  Ta  Ta93  1  0.813797  0.083676  0.610143  1
  Ta  Ta94  1  0.823208  0.790666  0.556066  1
  Ta  Ta95  1  0.166300  0.282739  0.551924  1
  Ta  Ta96  1  0.181836  0.999123  0.497346  1
  Ta  Ta97  1  0.256902  0.380715  0.595451  1
  Ta  Ta98  1  0.187915  0.052414  0.546788  1
  Ta  Ta99  1  0.792448  0.740285  0.503929  1
  Ta  Ta100  1  0.806261  0.026980  0.561369  1
  Ta  Ta101  1  0.305301  0.412008  0.519550  1
  Ta  Ta102  1  0.294495  0.698065  0.577181  1
  Ta  Ta103  1  0.686112  0.386263  0.534256  1
  Ta  Ta104  1  0.674879  0.664879  0.589225  1
  Ta  Ta105  1  0.677511  0.438477  0.583907  1
  Ta  Ta106  1  0.665243  0.156573  0.529221  1
  Ta  Ta107  1  0.323414  0.646529  0.524986  1
  Ta  Ta108  1  0.325289  0.926492  0.580416  1
  Ta  Ta109  1  0.855163  0.269346  0.562439  1
  Ta  Ta110  1  0.953990  0.919625  0.520190  1
  Ta  Ta111  1  0.054714  0.164488  0.589168  1
  Ta  Ta112  1  0.142002  0.812623  0.546708  1
  Ta  Ta113  1  0.007762  0.663614  0.521886  1
  Ta  Ta114  1  0.023867  0.946232  0.580226  1
  Ta  Ta115  1  0.002589  0.409437  0.588630  1
  Ta  Ta116  1  0.969717  0.136168  0.528824  1
  Ta  Ta117  1  0.468225  0.302641  0.552376  1
  Ta  Ta118  1  0.451347  0.581897  0.610916  1
  Ta  Ta119  1  0.522635  0.490218  0.500813  1
  Ta  Ta120  1  0.507685  0.775286  0.558902  1
  Ta  Ta121  1  0.640195  0.625092  0.534268  1
  Ta  Ta122  1  0.635661  0.911240  0.589805  1
  Ta  Ta123  1  0.452134  0.518815  0.561187  1
  Ta  Ta124  1  0.356834  0.170104  0.518365  1
  Ta  Ta125  1  0.633504  0.190562  0.583641  1
  Ta  Ta126  1  0.655309  0.906860  0.526219  1
  Ta  Ta127  1  0.334707  0.167992  0.583450  1
  Ta  Ta128  1  0.359570  0.894402  0.525263  1
  Ta  Ta129  1  0.857664  0.544305  0.555906  1
  Ta  Ta130  1  0.855291  0.831368  0.610252  1
  Ta  Ta131  1  0.156102  0.531617  0.555114  1
  Ta  Ta132  1  0.135365  0.249009  0.497710  1
  Ta  Ta133  1  0.993869  0.978864  0.636694  1
  Ta  Ta134  1  0.995589  0.271414  0.693297  1
  Ta  Ta135  1  0.494392  0.941350  0.718779  1
  Ta  Ta136  1  0.500015  0.627332  0.665158  1
  Ta  Ta137  1  0.858019  0.675668  0.716670  1
  Ta  Ta138  1  0.822513  0.376413  0.664965  1
  Ta  Ta139  1  0.189598  0.884119  0.663681  1
  Ta  Ta140  1  0.167378  0.576649  0.611000  1
  Ta  Ta141  1  0.257859  0.973567  0.708261  1
  Ta  Ta142  1  0.256736  0.671079  0.655458  1
  Ta  Ta143  1  0.813346  0.309110  0.616808  1
  Ta  Ta144  1  0.824152  0.602314  0.671457  1
  Ta  Ta145  1  0.236116  0.026045  0.623344  1
  Ta  Ta146  1  0.243265  0.313428  0.683694  1
  Ta  Ta147  1  0.676130  0.954951  0.643648  1
  Ta  Ta148  1  0.711839  0.258686  0.701029  1
  Ta  Ta149  1  0.675999  0.023716  0.691502  1
  Ta  Ta150  1  0.678519  0.728096  0.638214  1
  Ta  Ta151  1  0.304945  0.236044  0.635825  1
  Ta  Ta152  1  0.331793  0.526346  0.697835  1
  Ta  Ta153  1  0.865068  0.848811  0.671557  1
  Ta  Ta154  1  0.860531  0.556109  0.617341  1
  Ta  Ta155  1  0.087002  0.746271  0.697208  1
  Ta  Ta156  1  0.059757  0.439842  0.643396  1
  Ta  Ta157  1  0.039837  0.227067  0.635801  1
  Ta  Ta158  1  0.070136  0.518917  0.688606  1
  Ta  Ta159  1  0.984504  0.995587  0.698854  1
  Ta  Ta160  1  0.006140  0.703376  0.644675  1
  Ta  Ta161  1  0.455427  0.871937  0.665684  1
  Ta  Ta162  1  0.469989  0.176403  0.710172  1
  Ta  Ta163  1  0.489697  0.057555  0.616333  1
  Ta  Ta164  1  0.501030  0.350188  0.673653  1
  Ta  Ta165  1  0.626709  0.201066  0.647413  1
  Ta  Ta166  1  0.636153  0.508884  0.699766  1
  Ta  Ta167  1  0.413025  0.086541  0.668475  1
  Ta  Ta168  1  0.437512  0.809043  0.618633  1
  Ta  Ta169  1  0.645844  0.773125  0.693245  1
  Ta  Ta170  1  0.639242  0.479870  0.638556  1
  Ta  Ta171  1  0.353891  0.752937  0.703560  1
  Ta  Ta172  1  0.327655  0.459303  0.646292  1
  Ta  Ta173  1  0.854645  0.127271  0.663585  1
  Ta  Ta174  1  0.861863  0.444211  0.716387  1
  Ta  Ta175  1  0.148708  0.107938  0.671871  1
  Ta  Ta176  1  0.158895  0.813228  0.612626  1
