# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26012605
_cell_length_b   11.92996172
_cell_length_c   49.63080438
_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   Ta48
_cell_volume   1930.29975911
_cell_formula_units_Z   48
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  0.506519  0.254828  0.328333  1
  Ta  Ta2  1  0.506519  0.035304  0.290174  1
  Ta  Ta3  1  0.506519  0.643166  0.308014  1
  Ta  Ta4  1  1.006519  0.446740  0.316507  1
  Ta  Ta5  1  1.006519  0.229657  0.283120  1
  Ta  Ta6  1  1.006519  0.838520  0.298980  1
  Ta  Ta7  1  0.506519  0.101746  0.382774  1
  Ta  Ta8  1  0.506519  0.871706  0.344941  1
  Ta  Ta9  1  0.506519  0.486576  0.363036  1
  Ta  Ta10  1  1.006519  0.295312  0.373698  1
  Ta  Ta11  1  1.006519  0.063591  0.336402  1
  Ta  Ta12  1  1.006519  0.678792  0.353889  1
  Ta  Ta13  1  0.506519  0.947575  0.437980  1
  Ta  Ta14  1  0.506519  0.716946  0.400535  1
  Ta  Ta15  1  0.506519  0.333318  0.419685  1
  Ta  Ta16  1  1.006519  0.140338  0.428946  1
  Ta  Ta17  1  1.006519  0.909095  0.391540  1
  Ta  Ta18  1  1.006519  0.525173  0.409813  1
  Ta  Ta19  1  0.506519  0.793778  0.493664  1
  Ta  Ta20  1  0.506519  0.563449  0.456417  1
  Ta  Ta21  1  0.506519  0.178654  0.475182  1
  Ta  Ta22  1  1.006519  0.985980  0.484363  1
  Ta  Ta23  1  1.006519  0.755358  0.447124  1
  Ta  Ta24  1  1.006519  0.371365  0.465924  1
  Ta  Ta25  1  0.506519  0.640221  0.549499  1
  Ta  Ta26  1  0.506519  0.409600  0.512261  1
  Ta  Ta27  1  0.506519  0.024214  0.530699  1
  Ta  Ta28  1  1.006519  0.832131  0.540207  1
  Ta  Ta29  1  1.006519  0.601801  0.502959  1
  Ta  Ta30  1  1.006519  0.216926  0.521442  1
  Ta  Ta31  1  0.506519  0.486484  0.605083  1
  Ta  Ta32  1  0.506519  0.255242  0.567678  1
  Ta  Ta33  1  0.506519  0.870407  0.586810  1
  Ta  Ta34  1  1.006519  0.678633  0.596088  1
  Ta  Ta35  1  1.006519  0.448004  0.558643  1
  Ta  Ta36  1  1.006519  0.062261  0.576938  1
  Ta  Ta37  1  0.506519  0.331988  0.660221  1
  Ta  Ta38  1  0.506519  0.100267  0.622925  1
  Ta  Ta39  1  0.506519  0.716787  0.642734  1
  Ta  Ta40  1  1.006519  0.523873  0.651682  1
  Ta  Ta41  1  1.006519  0.293833  0.613849  1
  Ta  Ta42  1  1.006519  0.909003  0.633588  1
  Ta  Ta43  1  0.506519  0.165922  0.713504  1
  Ta  Ta44  1  0.506519  0.948839  0.680116  1
  Ta  Ta45  1  0.506519  0.557059  0.697644  1
  Ta  Ta46  1  1.006519  0.360275  0.706449  1
  Ta  Ta47  1  1.006519  0.140751  0.668291  1
  Ta  Ta48  1  1.006519  0.752413  0.688610  1
