# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66453797
_cell_length_b   13.13408674
_cell_length_c   51.36605391
_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   Ta88
_cell_volume   3146.91285316
_cell_formula_units_Z   88
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  1.012051  0.925647  0.316860  1
  Ta  Ta2  1  0.512051  0.422475  0.314101  1
  Ta  Ta3  1  1.012051  0.734795  0.298224  1
  Ta  Ta4  1  1.012051  0.146562  0.351206  1
  Ta  Ta5  1  0.512051  0.628844  0.307222  1
  Ta  Ta6  1  0.512051  0.219026  0.325358  1
  Ta  Ta7  1  1.012051  0.354689  0.244327  1
  Ta  Ta8  1  1.012051  0.905233  0.263173  1
  Ta  Ta9  1  0.512051  0.249495  0.270278  1
  Ta  Ta10  1  0.512051  0.542606  0.358597  1
  Ta  Ta11  1  1.012051  0.359156  0.352652  1
  Ta  Ta12  1  1.012051  0.547061  0.275082  1
  Ta  Ta13  1  0.512051  0.699440  0.258078  1
  Ta  Ta14  1  0.512051  0.458367  0.262728  1
  Ta  Ta15  1  1.012051  0.117802  0.299167  1
  Ta  Ta16  1  1.012051  0.141353  0.249065  1
  Ta  Ta17  1  0.512051  0.043049  0.277937  1
  Ta  Ta18  1  0.512051  0.794991  0.342663  1
  Ta  Ta19  1  1.012051  0.328957  0.295545  1
  Ta  Ta20  1  1.012051  0.542892  0.327501  1
  Ta  Ta21  1  0.512051  0.851352  0.292036  1
  Ta  Ta22  1  0.512051  0.011581  0.335205  1
  Ta  Ta23  1  1.012051  0.557708  0.441794  1
  Ta  Ta24  1  0.512051  0.055943  0.442271  1
  Ta  Ta25  1  1.012051  0.363351  0.422981  1
  Ta  Ta26  1  1.012051  0.781968  0.474875  1
  Ta  Ta27  1  0.512051  0.255530  0.430642  1
  Ta  Ta28  1  0.512051  0.851884  0.450848  1
  Ta  Ta29  1  1.012051  0.942290  0.370627  1
  Ta  Ta30  1  1.012051  0.529108  0.387750  1
  Ta  Ta31  1  0.512051  0.872831  0.394779  1
  Ta  Ta32  1  0.512051  0.180738  0.485703  1
  Ta  Ta33  1  1.012051  0.999691  0.480766  1
  Ta  Ta34  1  1.012051  0.169195  0.403712  1
  Ta  Ta35  1  0.512051  0.310712  0.378586  1
  Ta  Ta36  1  0.512051  0.082105  0.386147  1
  Ta  Ta37  1  1.012051  0.755829  0.419983  1
  Ta  Ta38  1  1.012051  0.717601  0.361678  1
  Ta  Ta39  1  0.512051  0.668812  0.401993  1
  Ta  Ta40  1  0.512051  0.419161  0.467138  1
  Ta  Ta41  1  1.012051  0.966844  0.424896  1
  Ta  Ta42  1  1.012051  0.191341  0.456801  1
  Ta  Ta43  1  0.512051  0.472636  0.415363  1
  Ta  Ta44  1  0.512051  0.643654  0.459701  1
  Ta  Ta45  1  1.012051  0.190770  0.567947  1
  Ta  Ta46  1  0.512051  0.690455  0.567811  1
  Ta  Ta47  1  1.012051  0.996957  0.548141  1
  Ta  Ta48  1  1.012051  0.417456  0.601413  1
  Ta  Ta49  1  0.512051  0.888444  0.555858  1
  Ta  Ta50  1  0.512051  0.487025  0.576866  1
  Ta  Ta51  1  1.012051  0.578431  0.495538  1
  Ta  Ta52  1  1.012051  0.170868  0.514702  1
  Ta  Ta53  1  0.512051  0.508375  0.520129  1
  Ta  Ta54  1  0.512051  0.814036  0.611727  1
  Ta  Ta55  1  1.012051  0.635162  0.606092  1
  Ta  Ta56  1  1.012051  0.803184  0.528520  1
  Ta  Ta57  1  0.512051  0.940904  0.503868  1
  Ta  Ta58  1  0.512051  0.716717  0.510599  1
  Ta  Ta59  1  1.012051  0.392637  0.546877  1
  Ta  Ta60  1  1.012051  0.362012  0.490793  1
  Ta  Ta61  1  0.512051  0.304767  0.529357  1
  Ta  Ta62  1  0.512051  0.050624  0.592316  1
  Ta  Ta63  1  1.012051  0.603268  0.550069  1
  Ta  Ta64  1  1.012051  0.826568  0.582335  1
  Ta  Ta65  1  0.512051  0.104825  0.540323  1
  Ta  Ta66  1  0.512051  0.277663  0.585737  1
  Ta  Ta67  1  1.012051  0.824699  0.695678  1
  Ta  Ta68  1  0.512051  0.326260  0.691257  1
  Ta  Ta69  1  1.012051  0.632512  0.672612  1
  Ta  Ta70  1  1.012051  0.044608  0.722713  1
  Ta  Ta71  1  0.512051  0.520165  0.680464  1
  Ta  Ta72  1  0.512051  0.125846  0.700604  1
  Ta  Ta73  1  1.012051  0.212020  0.620897  1
  Ta  Ta74  1  1.012051  0.807380  0.641762  1
  Ta  Ta75  1  0.512051  0.141040  0.645188  1
  Ta  Ta76  1  0.512051  0.434939  0.735446  1
  Ta  Ta77  1  1.012051  0.272226  0.725202  1
  Ta  Ta78  1  1.012051  0.434469  0.655845  1
  Ta  Ta79  1  0.512051  0.576387  0.629589  1
  Ta  Ta80  1  0.512051  0.351112  0.636320  1
  Ta  Ta81  1  1.012051  0.025651  0.671750  1
  Ta  Ta82  1  1.012051  0.995466  0.616479  1
  Ta  Ta83  1  0.512051  0.938688  0.655507  1
  Ta  Ta84  1  0.512051  0.665993  0.715844  1
  Ta  Ta85  1  1.012051  0.234029  0.674588  1
  Ta  Ta86  1  1.012051  0.476413  0.709229  1
  Ta  Ta87  1  0.512051  0.741527  0.667554  1
  Ta  Ta88  1  0.512051  0.917222  0.708300  1
