# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33131673
_cell_length_b   10.33056933
_cell_length_c   47.93654070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta126
_cell_volume   5090.54428564
_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  0.015483  0.349437  0.338588  1
  Ta  Ta2  1  0.348817  0.016104  0.338588  1
  Ta  Ta3  1  0.418896  0.419520  0.297857  1
  Ta  Ta4  1  0.682150  0.682770  0.338588  1
  Ta  Ta5  1  0.752230  0.086186  0.297857  1
  Ta  Ta6  1  0.710186  0.377474  0.315988  1
  Ta  Ta7  1  0.085563  0.752853  0.297857  1
  Ta  Ta8  1  0.043520  0.044141  0.315988  1
  Ta  Ta9  1  0.376853  0.710807  0.315988  1
  Ta  Ta10  1  0.938950  0.272909  0.289540  1
  Ta  Ta11  1  0.272284  0.939575  0.289540  1
  Ta  Ta12  1  0.227359  0.227984  0.306807  1
  Ta  Ta13  1  0.605617  0.606242  0.289540  1
  Ta  Ta14  1  0.560692  0.894651  0.306807  1
  Ta  Ta15  1  0.524987  0.192274  0.325045  1
  Ta  Ta16  1  0.894026  0.561318  0.306807  1
  Ta  Ta17  1  0.858320  0.858941  0.325045  1
  Ta  Ta18  1  0.191653  0.525608  0.325045  1
  Ta  Ta19  1  0.923880  0.257826  0.399040  1
  Ta  Ta20  1  0.257213  0.924493  0.399040  1
  Ta  Ta21  1  0.319344  0.319962  0.356308  1
  Ta  Ta22  1  0.590547  0.591160  0.399040  1
  Ta  Ta23  1  0.652677  0.986629  0.356308  1
  Ta  Ta24  1  0.620393  0.287674  0.376956  1
  Ta  Ta25  1  0.986011  0.653295  0.356308  1
  Ta  Ta26  1  0.953726  0.954341  0.376956  1
  Ta  Ta27  1  0.287060  0.621008  0.376956  1
  Ta  Ta28  1  0.834861  0.168812  0.346704  1
  Ta  Ta29  1  0.168195  0.835479  0.346704  1
  Ta  Ta30  1  0.136126  0.136742  0.367009  1
  Ta  Ta31  1  0.501528  0.502146  0.346704  1
  Ta  Ta32  1  0.469459  0.803408  0.367009  1
  Ta  Ta33  1  0.440111  0.107392  0.388473  1
  Ta  Ta34  1  0.802793  0.470075  0.367009  1
  Ta  Ta35  1  0.773444  0.774058  0.388473  1
  Ta  Ta36  1  0.106777  0.440725  0.388473  1
  Ta  Ta37  1  0.831509  0.165450  0.461875  1
  Ta  Ta38  1  0.164842  0.832117  0.461875  1
  Ta  Ta39  1  0.226455  0.227067  0.419950  1
  Ta  Ta40  1  0.498175  0.498784  0.461875  1
  Ta  Ta41  1  0.559788  0.893733  0.419950  1
  Ta  Ta42  1  0.529085  0.196362  0.440890  1
  Ta  Ta43  1  0.893122  0.560400  0.419950  1
  Ta  Ta44  1  0.862418  0.863028  0.440890  1
  Ta  Ta45  1  0.195752  0.529695  0.440890  1
  Ta  Ta46  1  0.741760  0.075706  0.409142  1
  Ta  Ta47  1  0.075093  0.742372  0.409142  1
  Ta  Ta48  1  0.044182  0.044793  0.430343  1
  Ta  Ta49  1  0.408426  0.409039  0.409142  1
  Ta  Ta50  1  0.377515  0.711459  0.430343  1
  Ta  Ta51  1  0.347025  0.014301  0.451498  1
  Ta  Ta52  1  0.710849  0.378126  0.430343  1
  Ta  Ta53  1  0.680359  0.680968  0.451498  1
  Ta  Ta54  1  0.013692  0.347634  0.451498  1
  Ta  Ta55  1  0.739373  0.073310  0.525028  1
  Ta  Ta56  1  0.072706  0.739977  0.525028  1
  Ta  Ta57  1  0.134194  0.134801  0.483006  1
  Ta  Ta58  1  0.406040  0.406643  0.525028  1
  Ta  Ta59  1  0.467527  0.801468  0.483006  1
  Ta  Ta60  1  0.436822  0.104094  0.504058  1
  Ta  Ta61  1  0.800861  0.468134  0.483006  1
  Ta  Ta62  1  0.770156  0.770761  0.504058  1
  Ta  Ta63  1  0.103489  0.437428  0.504058  1
  Ta  Ta64  1  0.649587  0.983528  0.472484  1
  Ta  Ta65  1  0.982920  0.650194  0.472484  1
  Ta  Ta66  1  0.952138  0.952744  0.493455  1
  Ta  Ta67  1  0.316253  0.316861  0.472484  1
  Ta  Ta68  1  0.285471  0.619410  0.493455  1
  Ta  Ta69  1  0.254766  0.922037  0.514506  1
  Ta  Ta70  1  0.618804  0.286077  0.493455  1
  Ta  Ta71  1  0.588099  0.588704  0.514506  1
  Ta  Ta72  1  0.921432  0.255370  0.514506  1
  Ta  Ta73  1  0.647200  0.981132  0.588370  1
  Ta  Ta74  1  0.980533  0.647799  0.588370  1
  Ta  Ta75  1  0.041935  0.042537  0.546015  1
  Ta  Ta76  1  0.313867  0.314466  0.588370  1
  Ta  Ta77  1  0.375268  0.709203  0.546015  1
  Ta  Ta78  1  0.344778  0.012045  0.567169  1
  Ta  Ta79  1  0.708601  0.375870  0.546015  1
  Ta  Ta80  1  0.678111  0.678712  0.567169  1
  Ta  Ta81  1  0.011445  0.345379  0.567169  1
  Ta  Ta82  1  0.557451  0.891388  0.535638  1
  Ta  Ta83  1  0.890785  0.558054  0.535638  1
  Ta  Ta84  1  0.859875  0.860476  0.556623  1
  Ta  Ta85  1  0.224118  0.224721  0.535638  1
  Ta  Ta86  1  0.193208  0.527143  0.556623  1
  Ta  Ta87  1  0.162505  0.829771  0.577562  1
  Ta  Ta88  1  0.526542  0.193809  0.556623  1
  Ta  Ta89  1  0.495838  0.496438  0.577562  1
  Ta  Ta90  1  0.829171  0.163105  0.577562  1
  Ta  Ta91  1  0.554099  0.888025  0.650808  1
  Ta  Ta92  1  0.887432  0.554692  0.650808  1
  Ta  Ta93  1  0.948849  0.949446  0.609039  1
  Ta  Ta94  1  0.220765  0.221359  0.650808  1
  Ta  Ta95  1  0.282182  0.616113  0.609039  1
  Ta  Ta96  1  0.252834  0.920096  0.630503  1
  Ta  Ta97  1  0.615516  0.282780  0.609039  1
  Ta  Ta98  1  0.586167  0.586763  0.630503  1
  Ta  Ta99  1  0.919501  0.253430  0.630503  1
  Ta  Ta100  1  0.465080  0.799012  0.598472  1
  Ta  Ta101  1  0.798413  0.465678  0.598472  1
  Ta  Ta102  1  0.768567  0.769164  0.620557  1
  Ta  Ta103  1  0.131747  0.132345  0.598472  1
  Ta  Ta104  1  0.101900  0.435830  0.620557  1
  Ta  Ta105  1  0.069616  0.736876  0.641205  1
  Ta  Ta106  1  0.435233  0.102497  0.620557  1
  Ta  Ta107  1  0.402949  0.403543  0.641205  1
  Ta  Ta108  1  0.736282  0.070209  0.641205  1
  Ta  Ta109  1  0.450009  0.783929  0.707973  1
  Ta  Ta110  1  0.783343  0.450596  0.707973  1
  Ta  Ta111  1  0.863973  0.864564  0.672467  1
  Ta  Ta112  1  0.116676  0.117263  0.707973  1
  Ta  Ta113  1  0.197306  0.531230  0.672467  1
  Ta  Ta114  1  0.161601  0.828854  0.690706  1
  Ta  Ta115  1  0.530640  0.197897  0.672467  1
  Ta  Ta116  1  0.494934  0.495520  0.690706  1
  Ta  Ta117  1  0.828267  0.162187  0.690706  1
  Ta  Ta118  1  0.373476  0.707401  0.658924  1
  Ta  Ta119  1  0.706810  0.374067  0.658924  1
  Ta  Ta120  1  0.678773  0.679364  0.681524  1
  Ta  Ta121  1  0.040143  0.040734  0.658924  1
  Ta  Ta122  1  0.012107  0.346030  0.681524  1
  Ta  Ta123  1  0.970064  0.637318  0.699656  1
  Ta  Ta124  1  0.345440  0.012697  0.681524  1
  Ta  Ta125  1  0.303397  0.303985  0.699656  1
  Ta  Ta126  1  0.636730  0.970652  0.699656  1
