# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35780172
_cell_length_b   10.35782553
_cell_length_c   47.95891221
_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   5119.44764097
_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  0.013034  0.346802  0.338551  1
  Ta  Ta2  1  0.346367  0.013469  0.338551  1
  Ta  Ta3  1  0.419008  0.419442  0.296873  1
  Ta  Ta4  1  0.679701  0.680135  0.338551  1
  Ta  Ta5  1  0.752341  0.086109  0.296873  1
  Ta  Ta6  1  0.709307  0.376408  0.315765  1
  Ta  Ta7  1  0.085674  0.752775  0.296873  1
  Ta  Ta8  1  0.042640  0.043075  0.315765  1
  Ta  Ta9  1  0.375974  0.709741  0.315765  1
  Ta  Ta10  1  0.940586  0.274354  0.288321  1
  Ta  Ta11  1  0.273920  0.941021  0.288321  1
  Ta  Ta12  1  0.227819  0.228254  0.305987  1
  Ta  Ta13  1  0.607253  0.607687  0.288321  1
  Ta  Ta14  1  0.561153  0.894920  0.305987  1
  Ta  Ta15  1  0.523674  0.190775  0.325066  1
  Ta  Ta16  1  0.894486  0.561587  0.305987  1
  Ta  Ta17  1  0.857007  0.857442  0.325066  1
  Ta  Ta18  1  0.190340  0.524108  0.325066  1
  Ta  Ta19  1  0.921992  0.255760  0.399143  1
  Ta  Ta20  1  0.255325  0.922427  0.399143  1
  Ta  Ta21  1  0.317595  0.318030  0.356531  1
  Ta  Ta22  1  0.588658  0.589093  0.399143  1
  Ta  Ta23  1  0.650929  0.984696  0.356531  1
  Ta  Ta24  1  0.618840  0.285941  0.377236  1
  Ta  Ta25  1  0.984262  0.651363  0.356531  1
  Ta  Ta26  1  0.952173  0.952608  0.377236  1
  Ta  Ta27  1  0.285506  0.619274  0.377236  1
  Ta  Ta28  1  0.832645  0.166413  0.346651  1
  Ta  Ta29  1  0.165979  0.833080  0.346651  1
  Ta  Ta30  1  0.134658  0.135093  0.367339  1
  Ta  Ta31  1  0.499312  0.499747  0.346651  1
  Ta  Ta32  1  0.467992  0.801760  0.367339  1
  Ta  Ta33  1  0.438311  0.105412  0.388601  1
  Ta  Ta34  1  0.801325  0.468426  0.367339  1
  Ta  Ta35  1  0.771644  0.772079  0.388601  1
  Ta  Ta36  1  0.104978  0.438746  0.388601  1
  Ta  Ta37  1  0.830188  0.163956  0.461800  1
  Ta  Ta38  1  0.163521  0.830623  0.461800  1
  Ta  Ta39  1  0.224882  0.225317  0.419896  1
  Ta  Ta40  1  0.496855  0.497289  0.461800  1
  Ta  Ta41  1  0.558216  0.891984  0.419896  1
  Ta  Ta42  1  0.527655  0.194757  0.440850  1
  Ta  Ta43  1  0.891549  0.558650  0.419896  1
  Ta  Ta44  1  0.860988  0.861423  0.440850  1
  Ta  Ta45  1  0.194322  0.528090  0.440850  1
  Ta  Ta46  1  0.740175  0.073943  0.409234  1
  Ta  Ta47  1  0.073508  0.740609  0.409234  1
  Ta  Ta48  1  0.042593  0.043028  0.430281  1
  Ta  Ta49  1  0.406841  0.407276  0.409234  1
  Ta  Ta50  1  0.375927  0.709695  0.430281  1
  Ta  Ta51  1  0.345620  0.012722  0.451399  1
  Ta  Ta52  1  0.709260  0.376362  0.430281  1
  Ta  Ta53  1  0.678954  0.679389  0.451399  1
  Ta  Ta54  1  0.012287  0.346055  0.451399  1
  Ta  Ta55  1  0.738356  0.072124  0.524735  1
  Ta  Ta56  1  0.071689  0.738791  0.524735  1
  Ta  Ta57  1  0.132920  0.133355  0.482790  1
  Ta  Ta58  1  0.405022  0.405457  0.524735  1
  Ta  Ta59  1  0.466253  0.800021  0.482790  1
  Ta  Ta60  1  0.435681  0.102783  0.503787  1
  Ta  Ta61  1  0.799586  0.466688  0.482790  1
  Ta  Ta62  1  0.769015  0.769450  0.503787  1
  Ta  Ta63  1  0.102348  0.436116  0.503787  1
  Ta  Ta64  1  0.648284  0.982053  0.472312  1
  Ta  Ta65  1  0.981618  0.648719  0.472312  1
  Ta  Ta66  1  0.950959  0.951393  0.493260  1
  Ta  Ta67  1  0.314951  0.315386  0.472312  1
  Ta  Ta68  1  0.284292  0.618060  0.493260  1
  Ta  Ta69  1  0.253720  0.920822  0.514257  1
  Ta  Ta70  1  0.617625  0.284727  0.493260  1
  Ta  Ta71  1  0.587053  0.587488  0.514257  1
  Ta  Ta72  1  0.920387  0.254155  0.514257  1
  Ta  Ta73  1  0.646465  0.980234  0.587813  1
  Ta  Ta74  1  0.979799  0.646900  0.587813  1
  Ta  Ta75  1  0.041019  0.041454  0.545648  1
  Ta  Ta76  1  0.313132  0.313567  0.587813  1
  Ta  Ta77  1  0.374353  0.708121  0.545648  1
  Ta  Ta78  1  0.344046  0.011148  0.566766  1
  Ta  Ta79  1  0.707686  0.374788  0.545648  1
  Ta  Ta80  1  0.677380  0.677815  0.566766  1
  Ta  Ta81  1  0.010713  0.344482  0.566766  1
  Ta  Ta82  1  0.556452  0.890220  0.535247  1
  Ta  Ta83  1  0.889785  0.556887  0.535247  1
  Ta  Ta84  1  0.858985  0.859420  0.556197  1
  Ta  Ta85  1  0.223119  0.223554  0.535247  1
  Ta  Ta86  1  0.192318  0.526087  0.556197  1
  Ta  Ta87  1  0.161758  0.828859  0.577151  1
  Ta  Ta88  1  0.525651  0.192753  0.556197  1
  Ta  Ta89  1  0.495091  0.495526  0.577151  1
  Ta  Ta90  1  0.828424  0.162193  0.577151  1
  Ta  Ta91  1  0.553995  0.887763  0.650396  1
  Ta  Ta92  1  0.887328  0.554430  0.650396  1
  Ta  Ta93  1  0.948329  0.948764  0.608446  1
  Ta  Ta94  1  0.220661  0.221097  0.650396  1
  Ta  Ta95  1  0.281662  0.615431  0.608446  1
  Ta  Ta96  1  0.251982  0.919083  0.629708  1
  Ta  Ta97  1  0.614996  0.282098  0.608446  1
  Ta  Ta98  1  0.585315  0.585750  0.629708  1
  Ta  Ta99  1  0.918648  0.252417  0.629708  1
  Ta  Ta100  1  0.464648  0.798417  0.597904  1
  Ta  Ta101  1  0.797981  0.465083  0.597904  1
  Ta  Ta102  1  0.767800  0.768236  0.619811  1
  Ta  Ta103  1  0.131315  0.131750  0.597904  1
  Ta  Ta104  1  0.101134  0.434902  0.619811  1
  Ta  Ta105  1  0.069045  0.736147  0.640516  1
  Ta  Ta106  1  0.434467  0.101569  0.619811  1
  Ta  Ta107  1  0.402378  0.402813  0.640516  1
  Ta  Ta108  1  0.735711  0.069480  0.640516  1
  Ta  Ta109  1  0.446054  0.779822  0.708726  1
  Ta  Ta110  1  0.779387  0.446489  0.708726  1
  Ta  Ta111  1  0.862966  0.863401  0.671981  1
  Ta  Ta112  1  0.112720  0.113156  0.708726  1
  Ta  Ta113  1  0.196299  0.530068  0.671981  1
  Ta  Ta114  1  0.158821  0.825923  0.691060  1
  Ta  Ta115  1  0.529633  0.196735  0.671981  1
  Ta  Ta116  1  0.492154  0.492589  0.691060  1
  Ta  Ta117  1  0.825487  0.159256  0.691060  1
  Ta  Ta118  1  0.373606  0.707374  0.658496  1
  Ta  Ta119  1  0.706939  0.374041  0.658496  1
  Ta  Ta120  1  0.677333  0.677768  0.681282  1
  Ta  Ta121  1  0.040272  0.040708  0.658496  1
  Ta  Ta122  1  0.010666  0.344435  0.681282  1
  Ta  Ta123  1  0.967632  0.634734  0.700173  1
  Ta  Ta124  1  0.344000  0.011102  0.681282  1
  Ta  Ta125  1  0.300966  0.301401  0.700173  1
  Ta  Ta126  1  0.634299  0.968068  0.700173  1
