# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08760623
_cell_length_b   8.59107877
_cell_length_c   51.16738194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta64
_cell_volume   2538.68434331
_cell_formula_units_Z   64
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  0.133777  0.750493  0.313495  1
  Ta  Ta2  1  0.971349  0.338849  0.288472  1
  Ta  Ta3  1  0.834743  0.628028  0.274164  1
  Ta  Ta4  1  0.007626  1.005107  0.290911  1
  Ta  Ta5  1  0.334743  0.628028  0.274164  1
  Ta  Ta6  1  0.507626  1.005107  0.290911  1
  Ta  Ta7  1  0.633777  0.750493  0.313495  1
  Ta  Ta8  1  0.471349  0.338849  0.288472  1
  Ta  Ta9  1  0.554760  0.627855  0.372294  1
  Ta  Ta10  1  0.288164  0.157454  0.331335  1
  Ta  Ta11  1  0.267195  0.480224  0.329145  1
  Ta  Ta12  1  0.427343  0.898828  0.352611  1
  Ta  Ta13  1  0.767195  0.480224  0.329145  1
  Ta  Ta14  1  0.927343  0.898828  0.352611  1
  Ta  Ta15  1  0.054760  0.627855  0.372294  1
  Ta  Ta16  1  0.788164  0.157454  0.331335  1
  Ta  Ta17  1  0.886926  0.449634  0.418939  1
  Ta  Ta18  1  0.717127  1.035965  0.394309  1
  Ta  Ta19  1  0.581896  0.303975  0.374699  1
  Ta  Ta20  1  0.843888  0.768909  0.414269  1
  Ta  Ta21  1  0.081896  0.303975  0.374699  1
  Ta  Ta22  1  0.343888  0.768909  0.414269  1
  Ta  Ta23  1  0.386926  0.449634  0.418939  1
  Ta  Ta24  1  0.217127  1.035965  0.394309  1
  Ta  Ta25  1  0.315651  0.300371  0.477332  1
  Ta  Ta26  1  0.137102  0.904674  0.455663  1
  Ta  Ta27  1  0.014560  0.171907  0.435742  1
  Ta  Ta28  1  0.208728  0.594388  0.464249  1
  Ta  Ta29  1  0.514560  0.171907  0.435742  1
  Ta  Ta30  1  0.708728  0.594388  0.464249  1
  Ta  Ta31  1  0.815651  0.300371  0.477332  1
  Ta  Ta32  1  0.637102  0.904674  0.455663  1
  Ta  Ta33  1  0.737254  0.159707  0.538851  1
  Ta  Ta34  1  0.543086  0.737227  0.510344  1
  Ta  Ta35  1  0.436164  1.031244  0.497261  1
  Ta  Ta36  1  0.614712  0.426941  0.518930  1
  Ta  Ta37  1  0.936164  1.031244  0.497261  1
  Ta  Ta38  1  0.114712  0.426941  0.518930  1
  Ta  Ta39  1  0.237254  0.159707  0.538851  1
  Ta  Ta40  1  0.043086  0.737227  0.510344  1
  Ta  Ta41  1  0.169918  1.027640  0.599894  1
  Ta  Ta42  1  0.907927  0.562706  0.560324  1
  Ta  Ta43  1  0.864889  0.881981  0.555654  1
  Ta  Ta44  1  0.034687  0.295650  0.580284  1
  Ta  Ta45  1  0.364889  0.881981  0.555654  1
  Ta  Ta46  1  0.534687  0.295650  0.580284  1
  Ta  Ta47  1  0.669918  1.027640  0.599894  1
  Ta  Ta48  1  0.407927  0.562706  0.560324  1
  Ta  Ta49  1  0.484620  0.851391  0.645448  1
  Ta  Ta50  1  0.324471  0.432787  0.621982  1
  Ta  Ta51  1  0.197054  0.703759  0.602299  1
  Ta  Ta52  1  0.463651  0.174160  0.643258  1
  Ta  Ta53  1  0.697054  0.703759  0.602299  1
  Ta  Ta54  1  0.963651  0.174160  0.643258  1
  Ta  Ta55  1  0.984620  0.851391  0.645448  1
  Ta  Ta56  1  0.824471  0.432787  0.621982  1
  Ta  Ta57  1  0.917071  0.703587  0.700429  1
  Ta  Ta58  1  0.744189  0.326508  0.683683  1
  Ta  Ta59  1  0.618037  0.581121  0.661098  1
  Ta  Ta60  1  0.780466  0.992766  0.686122  1
  Ta  Ta61  1  0.118037  0.581121  0.661098  1
  Ta  Ta62  1  0.280466  0.992766  0.686122  1
  Ta  Ta63  1  0.417071  0.703587  0.700429  1
  Ta  Ta64  1  0.244189  0.326508  0.683683  1
