# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14021087
_cell_length_b   10.14021087
_cell_length_c   47.58673167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta120
_cell_volume   4893.05222145
_cell_formula_units_Z   120
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  0.000535  0.000535  0.358333  1
  Ta  Ta2  1  0.500535  0.500535  0.298732  1
  Ta  Ta3  1  0.738185  0.066086  0.357792  1
  Ta  Ta4  1  0.433933  0.235733  0.299166  1
  Ta  Ta5  1  0.567138  0.765338  0.299166  1
  Ta  Ta6  1  0.262886  0.934984  0.357792  1
  Ta  Ta7  1  0.235733  0.433933  0.299166  1
  Ta  Ta8  1  0.765338  0.567138  0.299166  1
  Ta  Ta9  1  0.066086  0.738185  0.357792  1
  Ta  Ta10  1  0.934984  0.262886  0.357792  1
  Ta  Ta11  1  0.464026  0.133460  0.355625  1
  Ta  Ta12  1  0.368937  0.964398  0.305038  1
  Ta  Ta13  1  0.632134  0.036673  0.305038  1
  Ta  Ta14  1  0.537045  0.867611  0.355625  1
  Ta  Ta15  1  0.964398  0.368937  0.305038  1
  Ta  Ta16  1  0.036673  0.632134  0.305038  1
  Ta  Ta17  1  0.133460  0.464026  0.355625  1
  Ta  Ta18  1  0.867611  0.537045  0.355625  1
  Ta  Ta19  1  0.900814  0.100257  0.306408  1
  Ta  Ta20  1  0.398552  0.398552  0.353872  1
  Ta  Ta21  1  0.602518  0.602518  0.353872  1
  Ta  Ta22  1  0.100257  0.900814  0.306408  1
  Ta  Ta23  1  0.680785  0.320286  0.381490  1
  Ta  Ta24  1  0.187367  0.187367  0.382413  1
  Ta  Ta25  1  0.813704  0.813704  0.382413  1
  Ta  Ta26  1  0.320286  0.680785  0.381490  1
  Ta  Ta27  1  0.181218  0.181218  0.324942  1
  Ta  Ta28  1  0.316149  0.684921  0.324592  1
  Ta  Ta29  1  0.684921  0.316149  0.324592  1
  Ta  Ta30  1  0.819853  0.819853  0.324942  1
  Ta  Ta31  1  0.000535  0.000535  0.467564  1
  Ta  Ta32  1  0.500535  0.500535  0.410171  1
  Ta  Ta33  1  0.738818  0.065363  0.467291  1
  Ta  Ta34  1  0.435943  0.239212  0.411168  1
  Ta  Ta35  1  0.565128  0.761859  0.411168  1
  Ta  Ta36  1  0.262253  0.935708  0.467291  1
  Ta  Ta37  1  0.239212  0.435943  0.411168  1
  Ta  Ta38  1  0.761859  0.565128  0.411168  1
  Ta  Ta39  1  0.065363  0.738818  0.467291  1
  Ta  Ta40  1  0.935708  0.262253  0.467291  1
  Ta  Ta41  1  0.464742  0.132272  0.467001  1
  Ta  Ta42  1  0.369843  0.964881  0.411919  1
  Ta  Ta43  1  0.631228  0.036190  0.411919  1
  Ta  Ta44  1  0.536329  0.868799  0.467001  1
  Ta  Ta45  1  0.964881  0.369843  0.411919  1
  Ta  Ta46  1  0.036190  0.631228  0.411919  1
  Ta  Ta47  1  0.132272  0.464742  0.467001  1
  Ta  Ta48  1  0.868799  0.536329  0.467001  1
  Ta  Ta49  1  0.897800  0.103271  0.412236  1
  Ta  Ta50  1  0.398611  0.398611  0.466331  1
  Ta  Ta51  1  0.602460  0.602460  0.466331  1
  Ta  Ta52  1  0.103271  0.897800  0.412236  1
  Ta  Ta53  1  0.683934  0.317137  0.494198  1
  Ta  Ta54  1  0.184828  0.184828  0.494861  1
  Ta  Ta55  1  0.816243  0.816243  0.494861  1
  Ta  Ta56  1  0.317137  0.683934  0.494198  1
  Ta  Ta57  1  0.183701  0.183701  0.438544  1
  Ta  Ta58  1  0.315925  0.685146  0.438296  1
  Ta  Ta59  1  0.685146  0.315925  0.438296  1
  Ta  Ta60  1  0.817370  0.817370  0.438544  1
  Ta  Ta61  1  0.000535  0.000535  0.579449  1
  Ta  Ta62  1  0.500535  0.500535  0.522059  1
  Ta  Ta63  1  0.738999  0.065020  0.578788  1
  Ta  Ta64  1  0.435729  0.238746  0.522522  1
  Ta  Ta65  1  0.565342  0.762325  0.522522  1
  Ta  Ta66  1  0.262072  0.936051  0.578788  1
  Ta  Ta67  1  0.238746  0.435729  0.522522  1
  Ta  Ta68  1  0.762325  0.565342  0.522522  1
  Ta  Ta69  1  0.065020  0.738999  0.578788  1
  Ta  Ta70  1  0.936051  0.262072  0.578788  1
  Ta  Ta71  1  0.465083  0.131231  0.578190  1
  Ta  Ta72  1  0.368818  0.964756  0.522829  1
  Ta  Ta73  1  0.632252  0.036315  0.522829  1
  Ta  Ta74  1  0.535988  0.869840  0.578190  1
  Ta  Ta75  1  0.964756  0.368818  0.522829  1
  Ta  Ta76  1  0.036315  0.632252  0.522829  1
  Ta  Ta77  1  0.131231  0.465083  0.578190  1
  Ta  Ta78  1  0.869840  0.535988  0.578190  1
  Ta  Ta79  1  0.898586  0.102485  0.523179  1
  Ta  Ta80  1  0.397908  0.397908  0.577585  1
  Ta  Ta81  1  0.603162  0.603162  0.577585  1
  Ta  Ta82  1  0.102485  0.898586  0.523179  1
  Ta  Ta83  1  0.685817  0.315254  0.606197  1
  Ta  Ta84  1  0.182833  0.182833  0.607085  1
  Ta  Ta85  1  0.818238  0.818238  0.607085  1
  Ta  Ta86  1  0.315254  0.685817  0.606197  1
  Ta  Ta87  1  0.184152  0.184152  0.550685  1
  Ta  Ta88  1  0.316301  0.684770  0.550421  1
  Ta  Ta89  1  0.684770  0.316301  0.550421  1
  Ta  Ta90  1  0.816919  0.816919  0.550685  1
  Ta  Ta91  1  0.000535  0.000535  0.692865  1
  Ta  Ta92  1  0.500535  0.500535  0.632210  1
  Ta  Ta93  1  0.734652  0.066297  0.693075  1
  Ta  Ta94  1  0.435219  0.238304  0.632603  1
  Ta  Ta95  1  0.565852  0.762767  0.632603  1
  Ta  Ta96  1  0.266419  0.934774  0.693075  1
  Ta  Ta97  1  0.238304  0.435219  0.632603  1
  Ta  Ta98  1  0.762767  0.565852  0.632603  1
  Ta  Ta99  1  0.066297  0.734652  0.693075  1
  Ta  Ta100  1  0.934774  0.266419  0.693075  1
  Ta  Ta101  1  0.464461  0.136832  0.686910  1
  Ta  Ta102  1  0.367532  0.964303  0.634990  1
  Ta  Ta103  1  0.633539  0.036768  0.634990  1
  Ta  Ta104  1  0.536610  0.864239  0.686910  1
  Ta  Ta105  1  0.964303  0.367532  0.634990  1
  Ta  Ta106  1  0.036768  0.633539  0.634990  1
  Ta  Ta107  1  0.136832  0.464461  0.686910  1
  Ta  Ta108  1  0.864239  0.536610  0.686910  1
  Ta  Ta109  1  0.899359  0.101712  0.636042  1
  Ta  Ta110  1  0.400768  0.400768  0.685854  1
  Ta  Ta111  1  0.600303  0.600303  0.685854  1
  Ta  Ta112  1  0.101712  0.899359  0.636042  1
  Ta  Ta113  1  0.659298  0.341773  0.716027  1
  Ta  Ta114  1  0.207945  0.207945  0.716860  1
  Ta  Ta115  1  0.793126  0.793126  0.716860  1
  Ta  Ta116  1  0.341773  0.659298  0.716027  1
  Ta  Ta117  1  0.181888  0.181888  0.663291  1
  Ta  Ta118  1  0.314402  0.686669  0.662642  1
  Ta  Ta119  1  0.686669  0.314402  0.662642  1
  Ta  Ta120  1  0.819183  0.819183  0.663291  1
