# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66344213
_cell_length_b   10.35426560
_cell_length_c   45.46415142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta54
_cell_volume   2139.71920846
_cell_formula_units_Z   54
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  0.648333  0.876779  0.288557  1
  Ta  Ta2  1  0.801626  0.184212  0.304519  1
  Ta  Ta3  1  0.958715  0.498561  0.319738  1
  Ta  Ta4  1  0.073453  0.726208  0.283205  1
  Ta  Ta5  1  0.223182  0.027035  0.296540  1
  Ta  Ta6  1  0.379337  0.339807  0.312448  1
  Ta  Ta7  1  0.118284  0.817480  0.338011  1
  Ta  Ta8  1  0.275995  0.133181  0.353726  1
  Ta  Ta9  1  0.433959  0.449233  0.369522  1
  Ta  Ta10  1  0.537950  0.657009  0.326341  1
  Ta  Ta11  1  0.697025  0.975134  0.345563  1
  Ta  Ta12  1  0.854868  0.291021  0.361678  1
  Ta  Ta13  1  0.590503  0.762376  0.386602  1
  Ta  Ta14  1  0.749310  0.080023  0.403907  1
  Ta  Ta15  1  0.907004  0.395515  0.420279  1
  Ta  Ta16  1  0.011690  0.604756  0.377997  1
  Ta  Ta17  1  0.170315  0.921972  0.395846  1
  Ta  Ta18  1  0.328433  0.238311  0.412067  1
  Ta  Ta19  1  0.064303  0.710204  0.436982  1
  Ta  Ta20  1  0.222650  0.026928  0.454085  1
  Ta  Ta21  1  0.380349  0.342415  0.470644  1
  Ta  Ta22  1  0.485597  0.552761  0.428545  1
  Ta  Ta23  1  0.643382  0.868373  0.445503  1
  Ta  Ta24  1  0.801536  0.184739  0.462349  1
  Ta  Ta25  1  0.537907  0.657635  0.487254  1
  Ta  Ta26  1  0.695927  0.973718  0.504187  1
  Ta  Ta27  1  0.853709  0.289353  0.520950  1
  Ta  Ta28  1  0.959098  0.499969  0.478940  1
  Ta  Ta29  1  0.116880  0.815604  0.495704  1
  Ta  Ta30  1  0.274900  0.131687  0.512636  1
  Ta  Ta31  1  0.011271  0.604582  0.537541  1
  Ta  Ta32  1  0.169426  0.920949  0.554387  1
  Ta  Ta33  1  0.327210  0.236561  0.571345  1
  Ta  Ta34  1  0.432458  0.446907  0.529246  1
  Ta  Ta35  1  0.590157  0.762394  0.545805  1
  Ta  Ta36  1  0.748504  0.079117  0.562908  1
  Ta  Ta37  1  0.484375  0.551011  0.587823  1
  Ta  Ta38  1  0.642492  0.867350  0.604044  1
  Ta  Ta39  1  0.801118  0.184566  0.621893  1
  Ta  Ta40  1  0.905804  0.393807  0.579611  1
  Ta  Ta41  1  0.063497  0.709299  0.595983  1
  Ta  Ta42  1  0.222304  0.026946  0.613288  1
  Ta  Ta43  1  0.957939  0.498301  0.638212  1
  Ta  Ta44  1  0.115782  0.814188  0.654327  1
  Ta  Ta45  1  0.274858  0.132313  0.673549  1
  Ta  Ta46  1  0.378848  0.340088  0.630368  1
  Ta  Ta47  1  0.536813  0.656141  0.646164  1
  Ta  Ta48  1  0.694524  0.971842  0.661879  1
  Ta  Ta49  1  0.433470  0.449515  0.687442  1
  Ta  Ta50  1  0.589625  0.762287  0.703350  1
  Ta  Ta51  1  0.739355  0.063114  0.716685  1
  Ta  Ta52  1  0.854093  0.290761  0.680152  1
  Ta  Ta53  1  0.011181  0.605109  0.695371  1
  Ta  Ta54  1  0.164474  0.912543  0.711333  1
