# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.73837508
_cell_length_b   11.94285905
_cell_length_c   54.95257252
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95820429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta176
_cell_volume   7047.49519774
_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  1.012432  0.395253  0.315927  1
  Ta  Ta2  1  0.933244  0.066736  0.270913  1
  Ta  Ta3  1  0.515541  0.047310  0.341320  1
  Ta  Ta4  1  0.519532  0.745665  0.287138  1
  Ta  Ta5  1  0.329984  0.409906  0.309741  1
  Ta  Ta6  1  0.329308  0.712991  0.364896  1
  Ta  Ta7  1  0.766831  0.344243  0.322819  1
  Ta  Ta8  1  0.752886  0.906111  0.267256  1
  Ta  Ta9  1  0.316296  0.338382  0.263176  1
  Ta  Ta10  1  0.327893  0.644463  0.317092  1
  Ta  Ta11  1  0.694170  0.126714  0.303599  1
  Ta  Ta12  1  0.674578  0.439390  0.367848  1
  Ta  Ta13  1  0.894695  0.519999  0.279564  1
  Ta  Ta14  1  0.832281  0.786305  0.343255  1
  Ta  Ta15  1  0.189275  0.290305  0.343798  1
  Ta  Ta16  1  0.168654  0.992825  0.288446  1
  Ta  Ta17  1  0.761950  1.000700  0.353172  1
  Ta  Ta18  1  0.765837  0.707260  0.296348  1
  Ta  Ta19  1  0.189277  0.064199  0.335934  1
  Ta  Ta20  1  0.255248  0.775510  0.279289  1
  Ta  Ta21  1  0.516180  0.308243  0.334273  1
  Ta  Ta22  1  0.478776  0.995088  0.280228  1
  Ta  Ta23  1  0.643403  0.484148  0.289679  1
  Ta  Ta24  1  0.568609  0.774154  0.345574  1
  Ta  Ta25  1  0.367415  0.162358  0.306619  1
  Ta  Ta26  1  0.377400  0.461135  0.363496  1
  Ta  Ta27  1  0.544639  0.281354  0.280973  1
  Ta  Ta28  1  0.557978  0.562273  0.331744  1
  Ta  Ta29  1  0.963887  0.215628  0.365343  1
  Ta  Ta30  1  0.932954  0.927473  0.310092  1
  Ta  Ta31  1  0.157813  0.525042  0.280963  1
  Ta  Ta32  1  0.143017  0.820783  0.334829  1
  Ta  Ta33  1  0.946255  0.151754  0.319111  1
  Ta  Ta34  1  0.997649  0.791009  0.272408  1
  Ta  Ta35  1  1.014973  0.966259  0.364716  1
  Ta  Ta36  1  0.025251  0.661933  0.311174  1
  Ta  Ta37  1  0.700751  0.212986  0.361870  1
  Ta  Ta38  1  0.658701  0.908163  0.311075  1
  Ta  Ta39  1  0.416354  0.544486  0.272996  1
  Ta  Ta40  1  0.371419  0.888291  0.318609  1
  Ta  Ta41  1  0.130445  0.236419  0.288153  1
  Ta  Ta42  1  0.148831  0.533654  0.345375  1
  Ta  Ta43  1  0.846730  0.287377  0.277508  1
  Ta  Ta44  1  0.829371  0.559503  0.333977  1
  Ta  Ta45  1  1.017597  0.982389  0.426557  1
  Ta  Ta46  1  1.013440  0.685802  0.371600  1
  Ta  Ta47  1  0.516917  0.630812  0.454290  1
  Ta  Ta48  1  0.515367  0.332738  0.398409  1
  Ta  Ta49  1  0.340440  0.008658  0.419377  1
  Ta  Ta50  1  0.346846  0.304712  0.475677  1
  Ta  Ta51  1  0.767057  0.946972  0.437370  1
  Ta  Ta52  1  0.763066  0.644811  0.380850  1
  Ta  Ta53  1  0.338275  0.941464  0.370916  1
  Ta  Ta54  1  0.339675  0.235904  0.427237  1
  Ta  Ta55  1  0.681086  0.738184  0.425313  1
  Ta  Ta56  1  0.693228  0.035679  0.483982  1
  Ta  Ta57  1  0.832858  0.084164  0.398861  1
  Ta  Ta58  1  0.838006  0.383374  0.456137  1
  Ta  Ta59  1  0.196873  0.882476  0.453931  1
  Ta  Ta60  1  0.192132  0.585436  0.399502  1
  Ta  Ta61  1  0.768026  0.592828  0.465715  1
  Ta  Ta62  1  0.766117  0.298241  0.409033  1
  Ta  Ta63  1  0.197075  0.654837  0.447479  1
  Ta  Ta64  1  0.195876  0.358779  0.392189  1
  Ta  Ta65  1  0.517513  0.910980  0.447585  1
  Ta  Ta66  1  0.512040  0.609815  0.391631  1
  Ta  Ta67  1  0.569807  0.090110  0.398997  1
  Ta  Ta68  1  0.574359  0.379726  0.455260  1
  Ta  Ta69  1  0.380179  0.763283  0.419088  1
  Ta  Ta70  1  0.383480  0.060601  0.475461  1
  Ta  Ta71  1  0.581822  0.871898  0.389426  1
  Ta  Ta72  1  0.584063  0.160602  0.446105  1
  Ta  Ta73  1  0.966209  0.802072  0.474981  1
  Ta  Ta74  1  0.964578  0.506132  0.419626  1
  Ta  Ta75  1  0.155544  0.112018  0.392335  1
  Ta  Ta76  1  0.158416  0.407869  0.448177  1
  Ta  Ta77  1  0.947855  0.724558  0.429077  1
  Ta  Ta78  1  0.940198  0.434793  0.372652  1
  Ta  Ta79  1  0.020232  0.554428  0.476355  1
  Ta  Ta80  1  1.018183  0.261092  0.420253  1
  Ta  Ta81  1  0.701274  0.807953  0.475287  1
  Ta  Ta82  1  0.699126  0.509774  0.419566  1
  Ta  Ta83  1  0.377420  0.186838  0.370295  1
  Ta  Ta84  1  0.380879  0.481899  0.426660  1
  Ta  Ta85  1  0.153122  0.832524  0.399075  1
  Ta  Ta86  1  0.157564  0.129303  0.454595  1
  Ta  Ta87  1  0.847440  0.855142  0.392766  1
  Ta  Ta88  1  0.846908  0.157828  0.448984  1
  Ta  Ta89  1  0.025836  0.580304  0.537832  1
  Ta  Ta90  1  0.022920  0.278843  0.482515  1
  Ta  Ta91  1  0.520842  0.226532  0.568493  1
  Ta  Ta92  1  0.514843  0.928370  0.510589  1
  Ta  Ta93  1  0.351084  0.607760  0.530693  1
  Ta  Ta94  1  0.285958  0.924091  0.586099  1
  Ta  Ta95  1  0.729899  0.552086  0.544723  1
  Ta  Ta96  1  0.769296  0.243999  0.494544  1
  Ta  Ta97  1  0.342772  0.532458  0.482541  1
  Ta  Ta98  1  0.334061  0.836794  0.538167  1
  Ta  Ta99  1  0.706973  0.320689  0.540867  1
  Ta  Ta100  1  0.704018  0.623662  0.594194  1
  Ta  Ta101  1  0.840590  0.677595  0.510335  1
  Ta  Ta102  1  0.841011  0.973648  0.567078  1
  Ta  Ta103  1  0.206277  0.487316  0.564434  1
  Ta  Ta104  1  0.201285  0.180908  0.509928  1
  Ta  Ta105  1  0.845710  0.198592  0.575472  1
  Ta  Ta106  1  0.768252  0.889538  0.521555  1
  Ta  Ta107  1  0.233083  0.252822  0.559677  1
  Ta  Ta108  1  0.194563  0.954447  0.502383  1
  Ta  Ta109  1  0.510234  0.500183  0.562244  1
  Ta  Ta110  1  0.523141  0.202747  0.504536  1
  Ta  Ta111  1  0.567083  0.681862  0.509328  1
  Ta  Ta112  1  0.529120  0.952708  0.572285  1
  Ta  Ta113  1  0.398119  0.360673  0.530192  1
  Ta  Ta114  1  0.398021  0.682418  0.582948  1
  Ta  Ta115  1  0.597744  0.458745  0.501808  1
  Ta  Ta116  1  0.613052  0.760662  0.554781  1
  Ta  Ta117  1  0.894058  0.448861  0.574820  1
  Ta  Ta118  1  0.917636  0.105604  0.525345  1
  Ta  Ta119  1  0.159688  0.706790  0.503393  1
  Ta  Ta120  1  0.124600  0.035777  0.553580  1
  Ta  Ta121  1  1.005850  0.302371  0.542128  1
  Ta  Ta122  1  0.962677  0.020427  0.481794  1
  Ta  Ta123  1  0.068532  0.125367  0.597097  1
  Ta  Ta124  1  1.018050  0.855568  0.531308  1
  Ta  Ta125  1  0.661737  0.376612  0.594831  1
  Ta  Ta126  1  0.662791  0.086296  0.539754  1
  Ta  Ta127  1  0.379952  0.782524  0.481623  1
  Ta  Ta128  1  0.377598  0.078087  0.539196  1
  Ta  Ta129  1  0.167442  0.426601  0.510870  1
  Ta  Ta130  1  0.158235  0.734395  0.566146  1
  Ta  Ta131  1  0.873880  0.440308  0.509978  1
  Ta  Ta132  1  0.875378  0.731722  0.563263  1
  Ta  Ta133  1  1.017327  0.188523  0.650736  1
  Ta  Ta134  1  0.025311  0.883368  0.596247  1
  Ta  Ta135  1  0.511007  0.822930  0.679813  1
  Ta  Ta136  1  0.521810  0.530521  0.621759  1
  Ta  Ta137  1  0.260727  0.244063  0.642099  1
  Ta  Ta138  1  0.298455  0.608965  0.691799  1
  Ta  Ta139  1  0.701219  0.146211  0.653704  1
  Ta  Ta140  1  0.764376  0.841150  0.603525  1
  Ta  Ta141  1  0.337235  0.138407  0.597751  1
  Ta  Ta142  1  0.337570  0.461755  0.652935  1
  Ta  Ta143  1  0.692049  0.921649  0.650778  1
  Ta  Ta144  1  0.632799  0.241293  0.694458  1
  Ta  Ta145  1  0.837959  0.278171  0.622416  1
  Ta  Ta146  1  0.874765  0.565081  0.678320  1
  Ta  Ta147  1  0.182471  0.120649  0.684359  1
  Ta  Ta148  1  0.208750  0.794204  0.623885  1
  Ta  Ta149  1  0.784652  0.793192  0.688106  1
  Ta  Ta150  1  0.834646  0.507586  0.629476  1
  Ta  Ta151  1  0.257537  0.865117  0.674534  1
  Ta  Ta152  1  0.240309  0.562419  0.612365  1
  Ta  Ta153  1  0.436751  0.090524  0.676040  1
  Ta  Ta154  1  0.525128  0.806905  0.613949  1
  Ta  Ta155  1  0.511336  0.257113  0.632244  1
  Ta  Ta156  1  0.551373  0.575636  0.684399  1
  Ta  Ta157  1  0.442122  0.991660  0.633380  1
  Ta  Ta158  1  0.398981  0.324865  0.687602  1
  Ta  Ta159  1  0.647515  0.089355  0.603720  1
  Ta  Ta160  1  0.647811  0.407392  0.657765  1
  Ta  Ta161  1  0.877568  0.071897  0.685667  1
  Ta  Ta162  1  0.909271  0.742045  0.638777  1
  Ta  Ta163  1  0.089324  0.346885  0.598980  1
  Ta  Ta164  1  0.117107  0.634118  0.656460  1
  Ta  Ta165  1  1.011154  0.913610  0.661819  1
  Ta  Ta166  1  1.005490  0.622142  0.599987  1
  Ta  Ta167  1  0.036743  0.743110  0.694780  1
  Ta  Ta168  1  0.054264  0.425827  0.642952  1
  Ta  Ta169  1  0.646680  1.003529  0.697954  1
  Ta  Ta170  1  0.670684  0.679634  0.648087  1
  Ta  Ta171  1  0.370775  0.377607  0.596029  1
  Ta  Ta172  1  0.392305  0.691948  0.647925  1
  Ta  Ta173  1  0.191488  0.021575  0.636362  1
  Ta  Ta174  1  0.141699  0.388059  0.686368  1
  Ta  Ta175  1  0.883157  0.028102  0.624865  1
  Ta  Ta176  1  0.870871  0.328948  0.677285  1
