# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28870473
_cell_length_b   14.29983612
_cell_length_c   50.14724530
_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   Ta90
_cell_volume   3792.51636113
_cell_formula_units_Z   90
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  0.502496  0.799332  0.354755  1
  Ta  Ta2  1  0.002496  0.369902  0.391771  1
  Ta  Ta3  1  0.253532  0.468340  0.347482  1
  Ta  Ta4  1  0.002496  0.670746  0.345135  1
  Ta  Ta5  1  0.002496  0.766725  0.391226  1
  Ta  Ta6  1  0.502496  0.960032  0.325648  1
  Ta  Ta7  1  0.253822  0.651089  0.439013  1
  Ta  Ta8  1  0.753078  0.780104  0.300819  1
  Ta  Ta9  1  0.002496  0.067830  0.338858  1
  Ta  Ta10  1  0.002496  0.874751  0.342349  1
  Ta  Ta11  1  0.002496  0.578650  0.298876  1
  Ta  Ta12  1  0.502496  0.470837  0.292634  1
  Ta  Ta13  1  0.002496  0.269288  0.343978  1
  Ta  Ta14  1  0.502496  0.304688  0.320980  1
  Ta  Ta15  1  0.502496  0.635034  0.381021  1
  Ta  Ta16  1  0.002496  0.383099  0.299935  1
  Ta  Ta17  1  0.751461  0.468340  0.347482  1
  Ta  Ta18  1  0.754068  0.970100  0.385587  1
  Ta  Ta19  1  0.002496  0.956942  0.292750  1
  Ta  Ta20  1  0.751170  0.651089  0.439013  1
  Ta  Ta21  1  0.250924  0.970100  0.385587  1
  Ta  Ta22  1  0.502496  0.132694  0.410229  1
  Ta  Ta23  1  0.251914  0.780104  0.300819  1
  Ta  Ta24  1  0.502496  0.805816  0.411075  1
  Ta  Ta25  1  0.502496  0.300450  0.379357  1
  Ta  Ta26  1  0.002496  0.565262  0.392284  1
  Ta  Ta27  1  0.502496  0.134636  0.353870  1
  Ta  Ta28  1  0.002496  0.170066  0.389440  1
  Ta  Ta29  1  0.502496  0.626951  0.322869  1
  Ta  Ta30  1  0.502496  0.467234  0.409106  1
  Ta  Ta31  1  0.502496  0.300967  0.496900  1
  Ta  Ta32  1  0.002496  0.870657  0.535212  1
  Ta  Ta33  1  0.251204  0.968962  0.491045  1
  Ta  Ta34  1  0.002496  0.171402  0.486716  1
  Ta  Ta35  1  0.002496  0.266209  0.534149  1
  Ta  Ta36  1  0.502496  0.468166  0.468424  1
  Ta  Ta37  1  0.253622  0.152363  0.582209  1
  Ta  Ta38  1  0.751263  0.285289  0.438376  1
  Ta  Ta39  1  0.002496  0.565837  0.485725  1
  Ta  Ta40  1  0.002496  0.370306  0.485563  1
  Ta  Ta41  1  0.002496  0.072793  0.438279  1
  Ta  Ta42  1  0.502496  0.969432  0.438459  1
  Ta  Ta43  1  0.002496  0.765704  0.486943  1
  Ta  Ta44  1  0.502496  0.805693  0.466893  1
  Ta  Ta45  1  0.502496  0.136660  0.523941  1
  Ta  Ta46  1  0.002496  0.866035  0.438824  1
  Ta  Ta47  1  0.753789  0.968962  0.491045  1
  Ta  Ta48  1  0.753863  0.468226  0.530024  1
  Ta  Ta49  1  0.002496  0.467795  0.438831  1
  Ta  Ta50  1  0.751370  0.152363  0.582209  1
  Ta  Ta51  1  0.251130  0.468226  0.530024  1
  Ta  Ta52  1  0.502496  0.631135  0.554415  1
  Ta  Ta53  1  0.253729  0.285289  0.438376  1
  Ta  Ta54  1  0.502496  0.305445  0.554414  1
  Ta  Ta55  1  0.502496  0.800603  0.524033  1
  Ta  Ta56  1  0.002496  0.066839  0.535225  1
  Ta  Ta57  1  0.502496  0.635827  0.497095  1
  Ta  Ta58  1  0.002496  0.670699  0.534221  1
  Ta  Ta59  1  0.502496  0.132385  0.466544  1
  Ta  Ta60  1  0.502496  0.968757  0.552260  1
  Ta  Ta61  1  0.502496  0.802214  0.640517  1
  Ta  Ta62  1  0.002496  0.368300  0.682253  1
  Ta  Ta63  1  0.250489  0.466985  0.635541  1
  Ta  Ta64  1  0.002496  0.671529  0.631157  1
  Ta  Ta65  1  0.002496  0.772334  0.678366  1
  Ta  Ta66  1  0.502496  0.968950  0.610980  1
  Ta  Ta67  1  0.256313  0.650337  0.718993  1
  Ta  Ta68  1  0.751258  0.785067  0.582116  1
  Ta  Ta69  1  0.002496  0.068291  0.628372  1
  Ta  Ta70  1  0.002496  0.869450  0.628372  1
  Ta  Ta71  1  0.002496  0.571593  0.582693  1
  Ta  Ta72  1  0.502496  0.468064  0.582761  1
  Ta  Ta73  1  0.002496  0.266566  0.631913  1
  Ta  Ta74  1  0.502496  0.304705  0.610836  1
  Ta  Ta75  1  0.502496  0.641000  0.666831  1
  Ta  Ta76  1  0.002496  0.364534  0.582813  1
  Ta  Ta77  1  0.754504  0.466985  0.635541  1
  Ta  Ta78  1  0.749358  0.968672  0.669348  1
  Ta  Ta79  1  0.002496  0.968748  0.581874  1
  Ta  Ta80  1  0.748679  0.650337  0.718993  1
  Ta  Ta81  1  0.255634  0.968672  0.669348  1
  Ta  Ta82  1  0.502496  0.121082  0.697005  1
  Ta  Ta83  1  0.253735  0.785067  0.582116  1
  Ta  Ta84  1  0.502496  0.817657  0.698748  1
  Ta  Ta85  1  0.502496  0.299091  0.667355  1
  Ta  Ta86  1  0.002496  0.561251  0.678895  1
  Ta  Ta87  1  0.502496  0.136534  0.640625  1
  Ta  Ta88  1  0.002496  0.162419  0.677275  1
  Ta  Ta89  1  0.502496  0.631580  0.610579  1
  Ta  Ta90  1  0.502496  0.475761  0.692394  1
