# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36072619
_cell_length_b   10.36020424
_cell_length_c   47.93137914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta126
_cell_volume   5119.12855901
_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  0.013173  0.346965  0.331736  1
  Ta  Ta2  1  0.351914  0.018088  0.335610  1
  Ta  Ta3  1  0.426439  0.424257  0.293818  1
  Ta  Ta4  1  0.684296  0.685706  0.335609  1
  Ta  Ta5  1  0.759229  0.093022  0.295140  1
  Ta  Ta6  1  0.717117  0.381278  0.312690  1
  Ta  Ta7  1  0.090464  0.760230  0.293818  1
  Ta  Ta8  1  0.047484  0.050911  0.312689  1
  Ta  Ta9  1  0.381060  0.714852  0.312700  1
  Ta  Ta10  1  0.835143  0.168934  0.345496  1
  Ta  Ta11  1  0.279463  0.945605  0.285322  1
  Ta  Ta12  1  0.242902  0.230475  0.303286  1
  Ta  Ta13  1  0.611813  0.613257  0.285322  1
  Ta  Ta14  1  0.567082  0.900877  0.303010  1
  Ta  Ta15  1  0.531365  0.196417  0.322473  1
  Ta  Ta16  1  0.896681  0.576694  0.303286  1
  Ta  Ta17  1  0.862625  0.865156  0.322473  1
  Ta  Ta18  1  0.195641  0.529433  0.321881  1
  Ta  Ta19  1  0.927606  0.261393  0.395748  1
  Ta  Ta20  1  0.259933  0.927932  0.395949  1
  Ta  Ta21  1  0.322049  0.323623  0.353302  1
  Ta  Ta22  1  0.594144  0.593721  0.395949  1
  Ta  Ta23  1  0.655156  0.988947  0.353829  1
  Ta  Ta24  1  0.623635  0.291965  0.374294  1
  Ta  Ta25  1  0.989832  0.655838  0.353302  1
  Ta  Ta26  1  0.958176  0.957424  0.374294  1
  Ta  Ta27  1  0.290055  0.623845  0.373977  1
  Ta  Ta28  1  0.745104  0.078891  0.406388  1
  Ta  Ta29  1  0.170778  0.838987  0.343503  1
  Ta  Ta30  1  0.138750  0.141978  0.363763  1
  Ta  Ta31  1  0.505196  0.504569  0.343503  1
  Ta  Ta32  1  0.472552  0.806341  0.364321  1
  Ta  Ta33  1  0.442903  0.110947  0.385540  1
  Ta  Ta34  1  0.808188  0.472540  0.363763  1
  Ta  Ta35  1  0.777159  0.776691  0.385540  1
  Ta  Ta36  1  0.108280  0.442069  0.384207  1
  Ta  Ta37  1  0.835261  0.169046  0.458654  1
  Ta  Ta38  1  0.168539  0.835528  0.458585  1
  Ta  Ta39  1  0.229223  0.230896  0.416491  1
  Ta  Ta40  1  0.501743  0.502325  0.458585  1
  Ta  Ta41  1  0.563033  0.896820  0.416805  1
  Ta  Ta42  1  0.532372  0.200062  0.437728  1
  Ta  Ta43  1  0.897110  0.563010  0.416491  1
  Ta  Ta44  1  0.866276  0.866158  0.437728  1
  Ta  Ta45  1  0.198815  0.532601  0.437347  1
  Ta  Ta46  1  0.653225  0.987009  0.469169  1
  Ta  Ta47  1  0.078715  0.745121  0.405998  1
  Ta  Ta48  1  0.047616  0.048351  0.427102  1
  Ta  Ta49  1  0.411333  0.412503  0.405998  1
  Ta  Ta50  1  0.380728  0.714515  0.427050  1
  Ta  Ta51  1  0.350366  0.017942  0.448190  1
  Ta  Ta52  1  0.714564  0.381403  0.427102  1
  Ta  Ta53  1  0.684157  0.684152  0.448190  1
  Ta  Ta54  1  0.017230  0.351015  0.448081  1
  Ta  Ta55  1  0.743307  0.077090  0.521544  1
  Ta  Ta56  1  0.076714  0.743834  0.521532  1
  Ta  Ta57  1  0.137915  0.138383  0.479569  1
  Ta  Ta58  1  0.410052  0.410496  0.521532  1
  Ta  Ta59  1  0.471192  0.804976  0.479593  1
  Ta  Ta60  1  0.440660  0.107784  0.500590  1
  Ta  Ta61  1  0.804599  0.471699  0.479569  1
  Ta  Ta62  1  0.774000  0.774443  0.500590  1
  Ta  Ta63  1  0.107273  0.441056  0.500513  1
  Ta  Ta64  1  0.561424  0.895206  0.532122  1
  Ta  Ta65  1  0.986749  0.653454  0.469041  1
  Ta  Ta66  1  0.956046  0.956325  0.490081  1
  Ta  Ta67  1  0.319670  0.320533  0.469041  1
  Ta  Ta68  1  0.289185  0.622969  0.490003  1
  Ta  Ta69  1  0.258815  0.925764  0.511084  1
  Ta  Ta70  1  0.622542  0.289830  0.490081  1
  Ta  Ta71  1  0.591981  0.592598  0.511084  1
  Ta  Ta72  1  0.925281  0.259063  0.510997  1
  Ta  Ta73  1  0.651372  0.985151  0.584765  1
  Ta  Ta74  1  0.984283  0.652609  0.584486  1
  Ta  Ta75  1  0.046099  0.046377  0.542454  1
  Ta  Ta76  1  0.318830  0.318062  0.584486  1
  Ta  Ta77  1  0.379474  0.713255  0.542531  1
  Ta  Ta78  1  0.349388  0.015908  0.563676  1
  Ta  Ta79  1  0.712595  0.379881  0.542454  1
  Ta  Ta80  1  0.682128  0.683168  0.563676  1
  Ta  Ta81  1  0.015229  0.349010  0.563276  1
  Ta  Ta82  1  0.469661  0.803440  0.595120  1
  Ta  Ta83  1  0.894545  0.562078  0.532000  1
  Ta  Ta84  1  0.863800  0.864672  0.553016  1
  Ta  Ta85  1  0.228297  0.228326  0.532000  1
  Ta  Ta86  1  0.197331  0.531111  0.552915  1
  Ta  Ta87  1  0.166888  0.834233  0.574029  1
  Ta  Ta88  1  0.530892  0.197581  0.553016  1
  Ta  Ta89  1  0.500453  0.500667  0.574029  1
  Ta  Ta90  1  0.833271  0.167051  0.573935  1
  Ta  Ta91  1  0.558435  0.892212  0.647754  1
  Ta  Ta92  1  0.892026  0.560364  0.647280  1
  Ta  Ta93  1  0.953111  0.954324  0.605309  1
  Ta  Ta94  1  0.226587  0.225802  0.647280  1
  Ta  Ta95  1  0.287482  0.621260  0.605136  1
  Ta  Ta96  1  0.258107  0.923900  0.626876  1
  Ta  Ta97  1  0.620546  0.286890  0.605309  1
  Ta  Ta98  1  0.590122  0.591884  0.626876  1
  Ta  Ta99  1  0.923221  0.256999  0.626441  1
  Ta  Ta100  1  0.376273  0.710048  0.657552  1
  Ta  Ta101  1  0.802518  0.470448  0.594724  1
  Ta  Ta102  1  0.772428  0.773862  0.616774  1
  Ta  Ta103  1  0.136669  0.136297  0.594724  1
  Ta  Ta104  1  0.104435  0.438213  0.615396  1
  Ta  Ta105  1  0.073456  0.743218  0.637126  1
  Ta  Ta106  1  0.440085  0.106206  0.616774  1
  Ta  Ta107  1  0.409441  0.407233  0.637126  1
  Ta  Ta108  1  0.740480  0.074256  0.637564  1
  Ta  Ta109  1  0.454904  0.788679  0.707130  1
  Ta  Ta110  1  0.787937  0.452380  0.705753  1
  Ta  Ta111  1  0.868721  0.867824  0.669112  1
  Ta  Ta112  1  0.118606  0.121709  0.705753  1
  Ta  Ta113  1  0.196393  0.530168  0.665172  1
  Ta  Ta114  1  0.163843  0.833810  0.688271  1
  Ta  Ta115  1  0.534050  0.202496  0.669112  1
  Ta  Ta116  1  0.500037  0.497615  0.688271  1
  Ta  Ta117  1  0.831081  0.164853  0.688006  1
  Ta  Ta118  1  0.268735  0.602508  0.715552  1
  Ta  Ta119  1  0.712676  0.379128  0.655452  1
  Ta  Ta120  1  0.685217  0.683402  0.678695  1
  Ta  Ta121  1  0.045352  0.046452  0.655452  1
  Ta  Ta122  1  0.015708  0.349482  0.677946  1
  Ta  Ta123  1  0.983861  0.636641  0.697572  1
  Ta  Ta124  1  0.349627  0.018992  0.678695  1
  Ta  Ta125  1  0.302867  0.317633  0.697572  1
  Ta  Ta126  1  0.641163  0.974938  0.697245  1
