# 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   47.74084094
_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   4878.52263657
_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  0.633545  0.966326  0.353987  1
  Ta  Ta2  1  0.067996  0.266583  0.298224  1
  Ta  Ta3  1  0.317602  0.317602  0.381416  1
  Ta  Ta4  1  0.537762  0.132436  0.303637  1
  Ta  Ta5  1  0.466131  0.871457  0.303637  1
  Ta  Ta6  1  0.899072  0.899072  0.352423  1
  Ta  Ta7  1  0.182896  0.820997  0.380652  1
  Ta  Ta8  1  0.818778  0.185115  0.323551  1
  Ta  Ta9  1  0.935897  0.737310  0.298224  1
  Ta  Ta10  1  0.737310  0.935897  0.298224  1
  Ta  Ta11  1  0.603591  0.400302  0.305226  1
  Ta  Ta12  1  0.501947  0.501947  0.355793  1
  Ta  Ta13  1  0.132436  0.537762  0.303637  1
  Ta  Ta14  1  0.240082  0.567696  0.355480  1
  Ta  Ta15  1  0.370348  0.037567  0.353987  1
  Ta  Ta16  1  0.400302  0.603591  0.305226  1
  Ta  Ta17  1  0.319625  0.319625  0.323606  1
  Ta  Ta18  1  0.684268  0.684268  0.323606  1
  Ta  Ta19  1  0.001947  0.001947  0.298131  1
  Ta  Ta20  1  0.185115  0.818778  0.323551  1
  Ta  Ta21  1  0.686291  0.686291  0.381416  1
  Ta  Ta22  1  0.763811  0.436197  0.355480  1
  Ta  Ta23  1  0.820997  0.182896  0.380652  1
  Ta  Ta24  1  0.436197  0.763811  0.355480  1
  Ta  Ta25  1  0.037567  0.370348  0.353987  1
  Ta  Ta26  1  0.266583  0.067996  0.298224  1
  Ta  Ta27  1  0.966326  0.633545  0.353987  1
  Ta  Ta28  1  0.871457  0.466131  0.303637  1
  Ta  Ta29  1  0.567696  0.240082  0.355480  1
  Ta  Ta30  1  0.104821  0.104821  0.352423  1
  Ta  Ta31  1  0.631867  0.966844  0.465455  1
  Ta  Ta32  1  0.067191  0.262722  0.409312  1
  Ta  Ta33  1  0.319133  0.319133  0.493639  1
  Ta  Ta34  1  0.537080  0.131345  0.410012  1
  Ta  Ta35  1  0.466813  0.872548  0.410012  1
  Ta  Ta36  1  0.898790  0.898790  0.465202  1
  Ta  Ta37  1  0.184699  0.819194  0.493123  1
  Ta  Ta38  1  0.819370  0.184523  0.437453  1
  Ta  Ta39  1  0.936702  0.741171  0.409312  1
  Ta  Ta40  1  0.741171  0.936702  0.409312  1
  Ta  Ta41  1  0.605448  0.398445  0.410394  1
  Ta  Ta42  1  0.501947  0.501947  0.465851  1
  Ta  Ta43  1  0.131345  0.537080  0.410012  1
  Ta  Ta44  1  0.240599  0.567428  0.465741  1
  Ta  Ta45  1  0.372026  0.037049  0.465455  1
  Ta  Ta46  1  0.398445  0.605448  0.410394  1
  Ta  Ta47  1  0.318791  0.318791  0.437407  1
  Ta  Ta48  1  0.685102  0.685102  0.437407  1
  Ta  Ta49  1  0.001947  0.001947  0.408923  1
  Ta  Ta50  1  0.184523  0.819370  0.437453  1
  Ta  Ta51  1  0.684760  0.684760  0.493639  1
  Ta  Ta52  1  0.763294  0.436465  0.465741  1
  Ta  Ta53  1  0.819194  0.184699  0.493123  1
  Ta  Ta54  1  0.436465  0.763294  0.465741  1
  Ta  Ta55  1  0.037049  0.372026  0.465455  1
  Ta  Ta56  1  0.262722  0.067191  0.409312  1
  Ta  Ta57  1  0.966844  0.631867  0.465455  1
  Ta  Ta58  1  0.872548  0.466813  0.410012  1
  Ta  Ta59  1  0.567428  0.240599  0.465741  1
  Ta  Ta60  1  0.105104  0.105104  0.465202  1
  Ta  Ta61  1  0.631253  0.966824  0.576959  1
  Ta  Ta62  1  0.067440  0.263295  0.521122  1
  Ta  Ta63  1  0.320574  0.320574  0.605620  1
  Ta  Ta64  1  0.537023  0.131845  0.521408  1
  Ta  Ta65  1  0.466870  0.872048  0.521408  1
  Ta  Ta66  1  0.898439  0.898439  0.576565  1
  Ta  Ta67  1  0.185781  0.818112  0.604735  1
  Ta  Ta68  1  0.818655  0.185238  0.549249  1
  Ta  Ta69  1  0.936453  0.740598  0.521122  1
  Ta  Ta70  1  0.740598  0.936453  0.521122  1
  Ta  Ta71  1  0.605102  0.398791  0.521646  1
  Ta  Ta72  1  0.501947  0.501947  0.577991  1
  Ta  Ta73  1  0.131845  0.537023  0.521408  1
  Ta  Ta74  1  0.241160  0.567150  0.577633  1
  Ta  Ta75  1  0.372640  0.037069  0.576959  1
  Ta  Ta76  1  0.398791  0.605102  0.521646  1
  Ta  Ta77  1  0.319446  0.319446  0.549251  1
  Ta  Ta78  1  0.684447  0.684447  0.549251  1
  Ta  Ta79  1  0.001947  0.001947  0.521001  1
  Ta  Ta80  1  0.185238  0.818655  0.549249  1
  Ta  Ta81  1  0.683319  0.683319  0.605620  1
  Ta  Ta82  1  0.762733  0.436743  0.577633  1
  Ta  Ta83  1  0.818112  0.185781  0.604735  1
  Ta  Ta84  1  0.436743  0.762733  0.577633  1
  Ta  Ta85  1  0.037069  0.372640  0.576959  1
  Ta  Ta86  1  0.263295  0.067440  0.521122  1
  Ta  Ta87  1  0.966824  0.631253  0.576959  1
  Ta  Ta88  1  0.872048  0.466870  0.521408  1
  Ta  Ta89  1  0.567150  0.241160  0.577633  1
  Ta  Ta90  1  0.105454  0.105454  0.576565  1
  Ta  Ta91  1  0.637220  0.966852  0.685553  1
  Ta  Ta92  1  0.067999  0.263868  0.631800  1
  Ta  Ta93  1  0.295227  0.295227  0.715373  1
  Ta  Ta94  1  0.537034  0.132911  0.633410  1
  Ta  Ta95  1  0.466859  0.870982  0.633410  1
  Ta  Ta96  1  0.900740  0.900740  0.684415  1
  Ta  Ta97  1  0.160887  0.843006  0.714422  1
  Ta  Ta98  1  0.816383  0.187511  0.660733  1
  Ta  Ta99  1  0.935894  0.740025  0.631800  1
  Ta  Ta100  1  0.740025  0.935894  0.631800  1
  Ta  Ta101  1  0.604689  0.399204  0.634915  1
  Ta  Ta102  1  0.501947  0.501947  0.692074  1
  Ta  Ta103  1  0.132911  0.537034  0.633410  1
  Ta  Ta104  1  0.236591  0.568270  0.691116  1
  Ta  Ta105  1  0.366673  0.037042  0.685553  1
  Ta  Ta106  1  0.399204  0.604689  0.634915  1
  Ta  Ta107  1  0.321827  0.321827  0.661342  1
  Ta  Ta108  1  0.682066  0.682066  0.661342  1
  Ta  Ta109  1  0.001947  0.001947  0.631684  1
  Ta  Ta110  1  0.187511  0.816383  0.660733  1
  Ta  Ta111  1  0.708667  0.708667  0.715373  1
  Ta  Ta112  1  0.767302  0.435623  0.691116  1
  Ta  Ta113  1  0.843006  0.160887  0.714422  1
  Ta  Ta114  1  0.435623  0.767302  0.691116  1
  Ta  Ta115  1  0.037042  0.366673  0.685553  1
  Ta  Ta116  1  0.263868  0.067999  0.631800  1
  Ta  Ta117  1  0.966852  0.637220  0.685553  1
  Ta  Ta118  1  0.870982  0.466859  0.633410  1
  Ta  Ta119  1  0.568270  0.236591  0.691116  1
  Ta  Ta120  1  0.103153  0.103153  0.684415  1
