# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84222073
_cell_length_b   4.67961543
_cell_length_c   53.22705735
_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   Ta44
_cell_volume   1953.35726783
_cell_formula_units_Z   44
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  0.076634  1.012243  0.468294  1
  Ta  Ta2  1  0.581783  0.512243  0.365764  1
  Ta  Ta3  1  0.128490  1.012243  0.404317  1
  Ta  Ta4  1  0.090538  1.012243  0.323690  1
  Ta  Ta5  1  0.342131  0.512243  0.404327  1
  Ta  Ta6  1  0.844226  0.512243  0.331693  1
  Ta  Ta7  1  0.334258  1.012243  0.502339  1
  Ta  Ta8  1  0.827894  1.012243  0.433537  1
  Ta  Ta9  1  0.379968  0.512243  0.323686  1
  Ta  Ta10  1  0.642790  0.512243  0.433571  1
  Ta  Ta11  1  0.888736  1.012243  0.365771  1
  Ta  Ta12  1  0.331910  1.012243  0.361321  1
  Ta  Ta13  1  0.878867  0.512243  0.395492  1
  Ta  Ta14  1  0.138660  0.512243  0.361326  1
  Ta  Ta15  1  0.650953  1.012243  0.481032  1
  Ta  Ta16  1  0.393810  1.012243  0.440122  1
  Ta  Ta17  1  0.819250  0.512243  0.481224  1
  Ta  Ta18  1  0.394137  0.512243  0.468327  1
  Ta  Ta19  1  0.626349  1.012243  0.331690  1
  Ta  Ta20  1  0.591620  1.012243  0.395496  1
  Ta  Ta21  1  0.076602  0.512243  0.440127  1
  Ta  Ta22  1  0.136421  0.512243  0.502227  1
  Ta  Ta23  1  0.047058  1.012243  0.677569  1
  Ta  Ta24  1  0.574852  0.512243  0.570694  1
  Ta  Ta25  1  0.150443  1.012243  0.601132  1
  Ta  Ta26  1  0.985325  1.012243  0.519069  1
  Ta  Ta27  1  0.323386  0.512243  0.605801  1
  Ta  Ta28  1  0.833584  0.512243  0.536038  1
  Ta  Ta29  1  0.356621  1.012243  0.702168  1
  Ta  Ta30  1  0.877808  1.012243  0.632577  1
  Ta  Ta31  1  0.486171  0.512243  0.519234  1
  Ta  Ta32  1  0.629236  0.512243  0.632327  1
  Ta  Ta33  1  0.888780  1.012243  0.569775  1
  Ta  Ta34  1  0.324712  1.012243  0.556634  1
  Ta  Ta35  1  0.898433  0.512243  0.597650  1
  Ta  Ta36  1  0.153343  0.512243  0.556602  1
  Ta  Ta37  1  0.634808  1.012243  0.667989  1
  Ta  Ta38  1  0.327971  1.012243  0.644074  1
  Ta  Ta39  1  0.810212  0.512243  0.676311  1
  Ta  Ta40  1  0.396142  0.512243  0.671719  1
  Ta  Ta41  1  0.637036  1.012243  0.535782  1
  Ta  Ta42  1  0.575598  1.012243  0.601272  1
  Ta  Ta43  1  0.081278  0.512243  0.644085  1
  Ta  Ta44  1  0.126736  0.512243  0.703547  1
