# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10878896
_cell_length_b   10.10878896
_cell_length_c   47.74088937
_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   4878.52758463
_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  0.001947  0.001947  0.355793  1
  Ta  Ta2  1  0.501947  0.501947  0.298131  1
  Ta  Ta3  1  0.740082  0.067696  0.355479  1
  Ta  Ta4  1  0.435897  0.237310  0.298224  1
  Ta  Ta5  1  0.567996  0.766583  0.298224  1
  Ta  Ta6  1  0.263811  0.936197  0.355479  1
  Ta  Ta7  1  0.237310  0.435897  0.298224  1
  Ta  Ta8  1  0.766583  0.567996  0.298224  1
  Ta  Ta9  1  0.067696  0.740082  0.355479  1
  Ta  Ta10  1  0.936197  0.263811  0.355479  1
  Ta  Ta11  1  0.466326  0.133545  0.353986  1
  Ta  Ta12  1  0.371457  0.966131  0.303636  1
  Ta  Ta13  1  0.632436  0.037762  0.303636  1
  Ta  Ta14  1  0.537567  0.870348  0.353986  1
  Ta  Ta15  1  0.966131  0.371457  0.303636  1
  Ta  Ta16  1  0.037762  0.632436  0.303636  1
  Ta  Ta17  1  0.133545  0.466326  0.353986  1
  Ta  Ta18  1  0.870348  0.537567  0.353986  1
  Ta  Ta19  1  0.900302  0.103591  0.305225  1
  Ta  Ta20  1  0.399072  0.399072  0.352423  1
  Ta  Ta21  1  0.604821  0.604821  0.352423  1
  Ta  Ta22  1  0.103591  0.900302  0.305225  1
  Ta  Ta23  1  0.682896  0.320997  0.380651  1
  Ta  Ta24  1  0.186291  0.186291  0.381416  1
  Ta  Ta25  1  0.817602  0.817602  0.381416  1
  Ta  Ta26  1  0.320997  0.682896  0.380651  1
  Ta  Ta27  1  0.184268  0.184268  0.323605  1
  Ta  Ta28  1  0.318778  0.685115  0.323551  1
  Ta  Ta29  1  0.685115  0.318778  0.323551  1
  Ta  Ta30  1  0.819625  0.819625  0.323605  1
  Ta  Ta31  1  0.001947  0.001947  0.465850  1
  Ta  Ta32  1  0.501947  0.501947  0.408923  1
  Ta  Ta33  1  0.740599  0.067428  0.465740  1
  Ta  Ta34  1  0.436702  0.241171  0.409311  1
  Ta  Ta35  1  0.567191  0.762722  0.409311  1
  Ta  Ta36  1  0.263294  0.936465  0.465740  1
  Ta  Ta37  1  0.241171  0.436702  0.409311  1
  Ta  Ta38  1  0.762722  0.567191  0.409311  1
  Ta  Ta39  1  0.067428  0.740599  0.465740  1
  Ta  Ta40  1  0.936465  0.263294  0.465740  1
  Ta  Ta41  1  0.466844  0.131867  0.465455  1
  Ta  Ta42  1  0.372548  0.966813  0.410012  1
  Ta  Ta43  1  0.631345  0.037080  0.410012  1
  Ta  Ta44  1  0.537049  0.872026  0.465455  1
  Ta  Ta45  1  0.966813  0.372548  0.410012  1
  Ta  Ta46  1  0.037080  0.631345  0.410012  1
  Ta  Ta47  1  0.131867  0.466844  0.465455  1
  Ta  Ta48  1  0.872026  0.537049  0.465455  1
  Ta  Ta49  1  0.898445  0.105448  0.410393  1
  Ta  Ta50  1  0.398790  0.398790  0.465201  1
  Ta  Ta51  1  0.605104  0.605104  0.465201  1
  Ta  Ta52  1  0.105448  0.898445  0.410393  1
  Ta  Ta53  1  0.684699  0.319194  0.493122  1
  Ta  Ta54  1  0.184760  0.184760  0.493638  1
  Ta  Ta55  1  0.819133  0.819133  0.493638  1
  Ta  Ta56  1  0.319194  0.684699  0.493122  1
  Ta  Ta57  1  0.185102  0.185102  0.437406  1
  Ta  Ta58  1  0.319370  0.684523  0.437453  1
  Ta  Ta59  1  0.684523  0.319370  0.437453  1
  Ta  Ta60  1  0.818791  0.818791  0.437406  1
  Ta  Ta61  1  0.001947  0.001947  0.577990  1
  Ta  Ta62  1  0.501947  0.501947  0.521001  1
  Ta  Ta63  1  0.741160  0.067150  0.577632  1
  Ta  Ta64  1  0.436453  0.240598  0.521121  1
  Ta  Ta65  1  0.567440  0.763295  0.521121  1
  Ta  Ta66  1  0.262733  0.936743  0.577632  1
  Ta  Ta67  1  0.240598  0.436453  0.521121  1
  Ta  Ta68  1  0.763295  0.567440  0.521121  1
  Ta  Ta69  1  0.067150  0.741160  0.577632  1
  Ta  Ta70  1  0.936743  0.262733  0.577632  1
  Ta  Ta71  1  0.466824  0.131253  0.576958  1
  Ta  Ta72  1  0.372048  0.966870  0.521408  1
  Ta  Ta73  1  0.631845  0.037023  0.521408  1
  Ta  Ta74  1  0.537069  0.872640  0.576958  1
  Ta  Ta75  1  0.966870  0.372048  0.521408  1
  Ta  Ta76  1  0.037023  0.631845  0.521408  1
  Ta  Ta77  1  0.131253  0.466824  0.576958  1
  Ta  Ta78  1  0.872640  0.537069  0.576958  1
  Ta  Ta79  1  0.898791  0.105102  0.521646  1
  Ta  Ta80  1  0.398439  0.398439  0.576564  1
  Ta  Ta81  1  0.605454  0.605454  0.576564  1
  Ta  Ta82  1  0.105102  0.898791  0.521646  1
  Ta  Ta83  1  0.685781  0.318112  0.604734  1
  Ta  Ta84  1  0.183319  0.183319  0.605620  1
  Ta  Ta85  1  0.820574  0.820574  0.605620  1
  Ta  Ta86  1  0.318112  0.685781  0.604734  1
  Ta  Ta87  1  0.184447  0.184447  0.549250  1
  Ta  Ta88  1  0.318655  0.685238  0.549248  1
  Ta  Ta89  1  0.685238  0.318655  0.549248  1
  Ta  Ta90  1  0.819446  0.819446  0.549250  1
  Ta  Ta91  1  0.001947  0.001947  0.692074  1
  Ta  Ta92  1  0.501947  0.501947  0.631684  1
  Ta  Ta93  1  0.736591  0.068270  0.691115  1
  Ta  Ta94  1  0.435894  0.240025  0.631799  1
  Ta  Ta95  1  0.567999  0.763868  0.631799  1
  Ta  Ta96  1  0.267302  0.935623  0.691115  1
  Ta  Ta97  1  0.240025  0.435894  0.631799  1
  Ta  Ta98  1  0.763868  0.567999  0.631799  1
  Ta  Ta99  1  0.068270  0.736591  0.691115  1
  Ta  Ta100  1  0.935623  0.267302  0.691115  1
  Ta  Ta101  1  0.466852  0.137220  0.685552  1
  Ta  Ta102  1  0.370982  0.966859  0.633409  1
  Ta  Ta103  1  0.632911  0.037034  0.633409  1
  Ta  Ta104  1  0.537042  0.866673  0.685552  1
  Ta  Ta105  1  0.966859  0.370982  0.633409  1
  Ta  Ta106  1  0.037034  0.632911  0.633409  1
  Ta  Ta107  1  0.137220  0.466852  0.685552  1
  Ta  Ta108  1  0.866673  0.537042  0.685552  1
  Ta  Ta109  1  0.899204  0.104689  0.634914  1
  Ta  Ta110  1  0.400740  0.400740  0.684415  1
  Ta  Ta111  1  0.603153  0.603153  0.684415  1
  Ta  Ta112  1  0.104689  0.899204  0.634914  1
  Ta  Ta113  1  0.660887  0.343006  0.714422  1
  Ta  Ta114  1  0.208667  0.208667  0.715372  1
  Ta  Ta115  1  0.795227  0.795227  0.715372  1
  Ta  Ta116  1  0.343006  0.660887  0.714422  1
  Ta  Ta117  1  0.182066  0.182066  0.661341  1
  Ta  Ta118  1  0.316383  0.687511  0.660733  1
  Ta  Ta119  1  0.687511  0.316383  0.660733  1
  Ta  Ta120  1  0.821827  0.821827  0.661341  1
