# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36411787
_cell_length_b   10.36463099
_cell_length_c   47.93095757
_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   5122.94733142
_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  0.928927  0.262600  0.288948  1
  Ta  Ta2  1  0.262260  0.929267  0.288948  1
  Ta  Ta3  1  0.224498  0.224841  0.305664  1
  Ta  Ta4  1  0.595594  0.595933  0.288948  1
  Ta  Ta5  1  0.557831  0.891507  0.305664  1
  Ta  Ta6  1  0.525393  0.192406  0.325028  1
  Ta  Ta7  1  0.891164  0.558174  0.305664  1
  Ta  Ta8  1  0.858727  0.859073  0.325028  1
  Ta  Ta9  1  0.192060  0.525739  0.325028  1
  Ta  Ta10  1  0.013670  0.347348  0.337653  1
  Ta  Ta11  1  0.347003  0.014014  0.337653  1
  Ta  Ta12  1  0.414401  0.414743  0.297230  1
  Ta  Ta13  1  0.680336  0.680681  0.337653  1
  Ta  Ta14  1  0.747735  0.081409  0.297230  1
  Ta  Ta15  1  0.708037  0.375049  0.315160  1
  Ta  Ta16  1  0.081068  0.748076  0.297230  1
  Ta  Ta17  1  0.041371  0.041716  0.315160  1
  Ta  Ta18  1  0.374704  0.708382  0.315160  1
  Ta  Ta19  1  0.831955  0.165635  0.347041  1
  Ta  Ta20  1  0.165288  0.832301  0.347041  1
  Ta  Ta21  1  0.133511  0.133858  0.367620  1
  Ta  Ta22  1  0.498622  0.498968  0.347041  1
  Ta  Ta23  1  0.466844  0.800525  0.367620  1
  Ta  Ta24  1  0.437312  0.104328  0.388821  1
  Ta  Ta25  1  0.800177  0.467192  0.367620  1
  Ta  Ta26  1  0.770646  0.770995  0.388821  1
  Ta  Ta27  1  0.103979  0.437661  0.388821  1
  Ta  Ta28  1  0.921430  0.255113  0.399368  1
  Ta  Ta29  1  0.254764  0.921780  0.399368  1
  Ta  Ta30  1  0.316108  0.316455  0.356694  1
  Ta  Ta31  1  0.588097  0.588446  0.399368  1
  Ta  Ta32  1  0.649442  0.983122  0.356694  1
  Ta  Ta33  1  0.617872  0.284887  0.377753  1
  Ta  Ta34  1  0.982775  0.649789  0.356694  1
  Ta  Ta35  1  0.951205  0.951554  0.377753  1
  Ta  Ta36  1  0.284538  0.618220  0.377753  1
  Ta  Ta37  1  0.739340  0.073023  0.409500  1
  Ta  Ta38  1  0.072673  0.739690  0.409500  1
  Ta  Ta39  1  0.041932  0.042284  0.430438  1
  Ta  Ta40  1  0.406006  0.406357  0.409500  1
  Ta  Ta41  1  0.375265  0.708950  0.430438  1
  Ta  Ta42  1  0.345058  0.012077  0.451525  1
  Ta  Ta43  1  0.708599  0.375617  0.430438  1
  Ta  Ta44  1  0.678391  0.678744  0.451525  1
  Ta  Ta45  1  0.011724  0.345411  0.451525  1
  Ta  Ta46  1  0.829656  0.163343  0.461952  1
  Ta  Ta47  1  0.162989  0.830009  0.461952  1
  Ta  Ta48  1  0.224116  0.224467  0.419998  1
  Ta  Ta49  1  0.496322  0.496676  0.461952  1
  Ta  Ta50  1  0.557450  0.891134  0.419998  1
  Ta  Ta51  1  0.527036  0.194055  0.441013  1
  Ta  Ta52  1  0.890783  0.557801  0.419998  1
  Ta  Ta53  1  0.860369  0.860721  0.441013  1
  Ta  Ta54  1  0.193702  0.527388  0.441013  1
  Ta  Ta55  1  0.647707  0.981394  0.472396  1
  Ta  Ta56  1  0.981040  0.648061  0.472396  1
  Ta  Ta57  1  0.950471  0.950827  0.493349  1
  Ta  Ta58  1  0.314373  0.314727  0.472396  1
  Ta  Ta59  1  0.283804  0.617493  0.493349  1
  Ta  Ta60  1  0.253316  0.920339  0.514334  1
  Ta  Ta61  1  0.617138  0.284160  0.493349  1
  Ta  Ta62  1  0.586649  0.587005  0.514334  1
  Ta  Ta63  1  0.919982  0.253672  0.514334  1
  Ta  Ta64  1  0.737981  0.071672  0.524789  1
  Ta  Ta65  1  0.071315  0.738339  0.524789  1
  Ta  Ta66  1  0.132372  0.132727  0.482851  1
  Ta  Ta67  1  0.404648  0.405005  0.524789  1
  Ta  Ta68  1  0.465706  0.799394  0.482851  1
  Ta  Ta69  1  0.435217  0.102239  0.503836  1
  Ta  Ta70  1  0.799039  0.466061  0.482851  1
  Ta  Ta71  1  0.768550  0.768906  0.503836  1
  Ta  Ta72  1  0.101883  0.435573  0.503836  1
  Ta  Ta73  1  0.556032  0.889723  0.535233  1
  Ta  Ta74  1  0.889366  0.556390  0.535233  1
  Ta  Ta75  1  0.858652  0.859011  0.556172  1
  Ta  Ta76  1  0.222699  0.223057  0.535233  1
  Ta  Ta77  1  0.191986  0.525678  0.556172  1
  Ta  Ta78  1  0.161572  0.828599  0.577187  1
  Ta  Ta79  1  0.525319  0.192345  0.556172  1
  Ta  Ta80  1  0.494905  0.495265  0.577187  1
  Ta  Ta81  1  0.828238  0.161932  0.577187  1
  Ta  Ta82  1  0.646348  0.980043  0.587685  1
  Ta  Ta83  1  0.979682  0.646709  0.587685  1
  Ta  Ta84  1  0.040630  0.040989  0.545660  1
  Ta  Ta85  1  0.313015  0.313376  0.587685  1
  Ta  Ta86  1  0.373964  0.707655  0.545660  1
  Ta  Ta87  1  0.343756  0.010782  0.566747  1
  Ta  Ta88  1  0.707297  0.374322  0.545660  1
  Ta  Ta89  1  0.677089  0.677449  0.566747  1
  Ta  Ta90  1  0.010423  0.344116  0.566747  1
  Ta  Ta91  1  0.464258  0.797953  0.597817  1
  Ta  Ta92  1  0.797591  0.464620  0.597817  1
  Ta  Ta93  1  0.767816  0.768179  0.619432  1
  Ta  Ta94  1  0.130924  0.131286  0.597817  1
  Ta  Ta95  1  0.101150  0.434846  0.619432  1
  Ta  Ta96  1  0.069580  0.736610  0.640491  1
  Ta  Ta97  1  0.434483  0.101512  0.619432  1
  Ta  Ta98  1  0.402913  0.403277  0.640491  1
  Ta  Ta99  1  0.736246  0.069944  0.640491  1
  Ta  Ta100  1  0.553733  0.887431  0.650144  1
  Ta  Ta101  1  0.887066  0.554098  0.650144  1
  Ta  Ta102  1  0.948376  0.948738  0.608363  1
  Ta  Ta103  1  0.220400  0.220765  0.650144  1
  Ta  Ta104  1  0.281709  0.615405  0.608363  1
  Ta  Ta105  1  0.252177  0.919208  0.629565  1
  Ta  Ta106  1  0.615042  0.282071  0.608363  1
  Ta  Ta107  1  0.585511  0.585874  0.629565  1
  Ta  Ta108  1  0.918844  0.252541  0.629565  1
  Ta  Ta109  1  0.372018  0.705718  0.659531  1
  Ta  Ta110  1  0.705352  0.372385  0.659531  1
  Ta  Ta111  1  0.677651  0.678017  0.682025  1
  Ta  Ta112  1  0.038685  0.039052  0.659531  1
  Ta  Ta113  1  0.010984  0.344684  0.682025  1
  Ta  Ta114  1  0.971287  0.638323  0.699955  1
  Ta  Ta115  1  0.344317  0.011350  0.682025  1
  Ta  Ta116  1  0.304620  0.304990  0.699955  1
  Ta  Ta117  1  0.637953  0.971656  0.699955  1
  Ta  Ta118  1  0.456761  0.790466  0.708237  1
  Ta  Ta119  1  0.790094  0.457132  0.708237  1
  Ta  Ta120  1  0.860295  0.860660  0.672156  1
  Ta  Ta121  1  0.123428  0.123799  0.708237  1
  Ta  Ta122  1  0.193628  0.527327  0.672156  1
  Ta  Ta123  1  0.161190  0.828225  0.691521  1
  Ta  Ta124  1  0.526961  0.193993  0.672156  1
  Ta  Ta125  1  0.494524  0.494892  0.691521  1
  Ta  Ta126  1  0.827857  0.161558  0.691521  1
