# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75892453
_cell_length_b   5.78199329
_cell_length_c   48.23656350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta36
_cell_volume   1390.99625952
_cell_formula_units_Z   36
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  0.900623  0.563419  0.287994  1
  Ta  Ta2  1  0.340069  0.009745  0.287412  1
  Ta  Ta3  1  0.830005  0.076338  0.284589  1
  Ta  Ta4  1  0.052816  0.328078  0.335913  1
  Ta  Ta5  1  0.486128  0.415964  0.320958  1
  Ta  Ta6  1  0.047026  0.872221  0.333839  1
  Ta  Ta7  1  0.584729  0.859857  0.334596  1
  Ta  Ta8  1  0.601333  0.105094  0.382343  1
  Ta  Ta9  1  0.132156  0.073161  0.387866  1
  Ta  Ta10  1  0.605581  0.571836  0.379453  1
  Ta  Ta11  1  0.097272  0.587961  0.381042  1
  Ta  Ta12  1  0.301816  0.681102  0.430858  1
  Ta  Ta13  1  0.787135  0.696290  0.429352  1
  Ta  Ta14  1  0.292043  0.209490  0.437908  1
  Ta  Ta15  1  0.796172  0.201859  0.436515  1
  Ta  Ta16  1  0.974275  0.328856  0.488643  1
  Ta  Ta17  1  0.477017  0.327115  0.489007  1
  Ta  Ta18  1  0.981242  0.805688  0.479889  1
  Ta  Ta19  1  0.481776  0.806942  0.480397  1
  Ta  Ta20  1  0.671475  0.918176  0.530559  1
  Ta  Ta21  1  0.170082  0.919343  0.530407  1
  Ta  Ta22  1  0.663970  0.442455  0.540376  1
  Ta  Ta23  1  0.163557  0.443665  0.540199  1
  Ta  Ta24  1  0.356271  0.553854  0.592036  1
  Ta  Ta25  1  0.849943  0.555916  0.591775  1
  Ta  Ta26  1  0.358316  0.030907  0.580632  1
  Ta  Ta27  1  0.860444  0.026884  0.581087  1
  Ta  Ta28  1  0.042352  0.132635  0.631282  1
  Ta  Ta29  1  0.558082  0.129056  0.631835  1
  Ta  Ta30  1  0.034136  0.677789  0.642912  1
  Ta  Ta31  1  0.551125  0.642279  0.645986  1
  Ta  Ta32  1  0.732992  0.766995  0.694703  1
  Ta  Ta33  1  0.232543  0.766353  0.694591  1
  Ta  Ta34  1  0.739159  0.248582  0.688490  1
  Ta  Ta35  1  0.234683  0.250688  0.674834  1
  Ta  Ta36  1  0.232121  0.268947  0.725814  1
