# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36390619
_cell_length_b   10.36430401
_cell_length_c   47.99775889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta126
_cell_volume   5129.82055594
_cell_formula_units_Z   126
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  0.013374  0.347060  0.337054  1
  Ta  Ta2  1  0.346707  0.013727  0.337054  1
  Ta  Ta3  1  0.419636  0.419992  0.295941  1
  Ta  Ta4  1  0.680041  0.680394  0.337054  1
  Ta  Ta5  1  0.752969  0.086658  0.295941  1
  Ta  Ta6  1  0.710743  0.377765  0.314731  1
  Ta  Ta7  1  0.086302  0.753325  0.295941  1
  Ta  Ta8  1  0.044076  0.044431  0.314731  1
  Ta  Ta9  1  0.377410  0.711098  0.314731  1
  Ta  Ta10  1  0.938085  0.271770  0.286770  1
  Ta  Ta11  1  0.271418  0.938437  0.286770  1
  Ta  Ta12  1  0.229616  0.229963  0.304928  1
  Ta  Ta13  1  0.604752  0.605103  0.286770  1
  Ta  Ta14  1  0.562949  0.896630  0.304928  1
  Ta  Ta15  1  0.526435  0.193461  0.324784  1
  Ta  Ta16  1  0.896282  0.563296  0.304928  1
  Ta  Ta17  1  0.859768  0.860127  0.324784  1
  Ta  Ta18  1  0.193102  0.526794  0.324784  1
  Ta  Ta19  1  0.921451  0.255143  0.398837  1
  Ta  Ta20  1  0.254785  0.921810  0.398837  1
  Ta  Ta21  1  0.316257  0.316615  0.356576  1
  Ta  Ta22  1  0.588118  0.588477  0.398837  1
  Ta  Ta23  1  0.649590  0.983282  0.356576  1
  Ta  Ta24  1  0.618060  0.285086  0.377342  1
  Ta  Ta25  1  0.982923  0.649949  0.356576  1
  Ta  Ta26  1  0.951394  0.951752  0.377342  1
  Ta  Ta27  1  0.284727  0.618419  0.377342  1
  Ta  Ta28  1  0.831853  0.165543  0.346604  1
  Ta  Ta29  1  0.165186  0.832209  0.346604  1
  Ta  Ta30  1  0.133660  0.134016  0.367290  1
  Ta  Ta31  1  0.498519  0.498876  0.346604  1
  Ta  Ta32  1  0.466993  0.800683  0.367290  1
  Ta  Ta33  1  0.437204  0.104229  0.388364  1
  Ta  Ta34  1  0.800327  0.467350  0.367290  1
  Ta  Ta35  1  0.770537  0.770896  0.388364  1
  Ta  Ta36  1  0.103870  0.437563  0.388364  1
  Ta  Ta37  1  0.829704  0.163399  0.461345  1
  Ta  Ta38  1  0.163037  0.830066  0.461345  1
  Ta  Ta39  1  0.224187  0.224547  0.419525  1
  Ta  Ta40  1  0.496370  0.496733  0.461345  1
  Ta  Ta41  1  0.557520  0.891214  0.419525  1
  Ta  Ta42  1  0.527072  0.194100  0.440447  1
  Ta  Ta43  1  0.890854  0.557881  0.419525  1
  Ta  Ta44  1  0.860406  0.860767  0.440447  1
  Ta  Ta45  1  0.193739  0.527434  0.440447  1
  Ta  Ta46  1  0.739495  0.073189  0.409026  1
  Ta  Ta47  1  0.072829  0.739855  0.409026  1
  Ta  Ta48  1  0.042008  0.042369  0.429903  1
  Ta  Ta49  1  0.406162  0.406522  0.409026  1
  Ta  Ta50  1  0.375341  0.709035  0.429903  1
  Ta  Ta51  1  0.345066  0.012094  0.450937  1
  Ta  Ta52  1  0.708675  0.375702  0.429903  1
  Ta  Ta53  1  0.678399  0.678761  0.450937  1
  Ta  Ta54  1  0.011732  0.345428  0.450937  1
  Ta  Ta55  1  0.737980  0.071679  0.524046  1
  Ta  Ta56  1  0.071313  0.738345  0.524046  1
  Ta  Ta57  1  0.132406  0.132769  0.482213  1
  Ta  Ta58  1  0.404646  0.405012  0.524046  1
  Ta  Ta59  1  0.465739  0.799436  0.482213  1
  Ta  Ta60  1  0.435233  0.102265  0.503147  1
  Ta  Ta61  1  0.799072  0.466102  0.482213  1
  Ta  Ta62  1  0.768567  0.768931  0.503147  1
  Ta  Ta63  1  0.101900  0.435598  0.503147  1
  Ta  Ta64  1  0.647754  0.981450  0.471782  1
  Ta  Ta65  1  0.981087  0.648117  0.471782  1
  Ta  Ta66  1  0.950500  0.950864  0.492681  1
  Ta  Ta67  1  0.314420  0.314783  0.471782  1
  Ta  Ta68  1  0.283834  0.617531  0.492681  1
  Ta  Ta69  1  0.253328  0.920360  0.513615  1
  Ta  Ta70  1  0.617167  0.284198  0.492681  1
  Ta  Ta71  1  0.586661  0.587026  0.513615  1
  Ta  Ta72  1  0.919995  0.253693  0.513615  1
  Ta  Ta73  1  0.646238  0.979940  0.586801  1
  Ta  Ta74  1  0.979571  0.646607  0.586801  1
  Ta  Ta75  1  0.040668  0.041035  0.544891  1
  Ta  Ta76  1  0.312905  0.313273  0.586801  1
  Ta  Ta77  1  0.374001  0.707701  0.544891  1
  Ta  Ta78  1  0.343725  0.010760  0.565925  1
  Ta  Ta79  1  0.707334  0.374368  0.544891  1
  Ta  Ta80  1  0.677059  0.677427  0.565925  1
  Ta  Ta81  1  0.010392  0.344094  0.565925  1
  Ta  Ta82  1  0.556030  0.889730  0.534483  1
  Ta  Ta83  1  0.889363  0.556396  0.534483  1
  Ta  Ta84  1  0.858661  0.859028  0.555381  1
  Ta  Ta85  1  0.222696  0.223063  0.534483  1
  Ta  Ta86  1  0.191995  0.525695  0.555381  1
  Ta  Ta87  1  0.161546  0.828581  0.576303  1
  Ta  Ta88  1  0.525328  0.192362  0.555381  1
  Ta  Ta89  1  0.494880  0.495248  0.576303  1
  Ta  Ta90  1  0.828213  0.161915  0.576303  1
  Ta  Ta91  1  0.553881  0.887586  0.649224  1
  Ta  Ta92  1  0.887214  0.554253  0.649224  1
  Ta  Ta93  1  0.948530  0.948899  0.607464  1
  Ta  Ta94  1  0.220547  0.220919  0.649224  1
  Ta  Ta95  1  0.281863  0.615566  0.607464  1
  Ta  Ta96  1  0.252073  0.919113  0.628538  1
  Ta  Ta97  1  0.615196  0.282233  0.607464  1
  Ta  Ta98  1  0.585407  0.585779  0.628538  1
  Ta  Ta99  1  0.918740  0.252446  0.628538  1
  Ta  Ta100  1  0.464282  0.797986  0.596991  1
  Ta  Ta101  1  0.797615  0.464652  0.596991  1
  Ta  Ta102  1  0.767673  0.768043  0.618486  1
  Ta  Ta103  1  0.130949  0.131319  0.596991  1
  Ta  Ta104  1  0.101006  0.434710  0.618486  1
  Ta  Ta105  1  0.069477  0.736514  0.639252  1
  Ta  Ta106  1  0.434340  0.101377  0.618486  1
  Ta  Ta107  1  0.402810  0.403180  0.639252  1
  Ta  Ta108  1  0.736143  0.069847  0.639252  1
  Ta  Ta109  1  0.447648  0.781359  0.709058  1
  Ta  Ta110  1  0.780982  0.448025  0.709058  1
  Ta  Ta111  1  0.859298  0.859668  0.671044  1
  Ta  Ta112  1  0.114315  0.114692  0.709058  1
  Ta  Ta113  1  0.192632  0.526335  0.671044  1
  Ta  Ta114  1  0.156118  0.823166  0.690899  1
  Ta  Ta115  1  0.525965  0.193001  0.671044  1
  Ta  Ta116  1  0.489451  0.489832  0.690899  1
  Ta  Ta117  1  0.822784  0.156499  0.690899  1
  Ta  Ta118  1  0.372359  0.706069  0.658774  1
  Ta  Ta119  1  0.705693  0.372735  0.658774  1
  Ta  Ta120  1  0.674990  0.675364  0.681097  1
  Ta  Ta121  1  0.039026  0.039402  0.658774  1
  Ta  Ta122  1  0.008324  0.342031  0.681097  1
  Ta  Ta123  1  0.966098  0.633137  0.699887  1
  Ta  Ta124  1  0.341657  0.008697  0.681097  1
  Ta  Ta125  1  0.299431  0.299804  0.699887  1
  Ta  Ta126  1  0.632764  0.966470  0.699887  1
