# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65201180
_cell_length_b   10.31010480
_cell_length_c   45.42064259
_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   2123.33717895
_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  0.653289  0.884005  0.290730  1
  Ta  Ta2  1  0.804670  0.187467  0.306318  1
  Ta  Ta3  1  0.960737  0.499628  0.321184  1
  Ta  Ta4  1  0.075592  0.727962  0.283487  1
  Ta  Ta5  1  0.227022  0.031968  0.298545  1
  Ta  Ta6  1  0.381920  0.342112  0.313891  1
  Ta  Ta7  1  0.121120  0.819998  0.337793  1
  Ta  Ta8  1  0.279064  0.136123  0.354029  1
  Ta  Ta9  1  0.436798  0.451627  0.369548  1
  Ta  Ta10  1  0.540257  0.658451  0.326405  1
  Ta  Ta11  1  0.700080  0.978072  0.345947  1
  Ta  Ta12  1  0.857789  0.293624  0.361983  1
  Ta  Ta13  1  0.593107  0.764335  0.386453  1
  Ta  Ta14  1  0.752177  0.082592  0.404218  1
  Ta  Ta15  1  0.910064  0.398531  0.420633  1
  Ta  Ta16  1  0.014670  0.607428  0.377790  1
  Ta  Ta17  1  0.172682  0.923526  0.395705  1
  Ta  Ta18  1  0.331331  0.240983  0.412424  1
  Ta  Ta19  1  0.067116  0.712772  0.437419  1
  Ta  Ta20  1  0.225157  0.028934  0.454456  1
  Ta  Ta21  1  0.383103  0.344963  0.471207  1
  Ta  Ta22  1  0.488604  0.555691  0.428852  1
  Ta  Ta23  1  0.646027  0.870630  0.445911  1
  Ta  Ta24  1  0.804221  0.187123  0.462881  1
  Ta  Ta25  1  0.540652  0.660205  0.487949  1
  Ta  Ta26  1  0.698515  0.976028  0.504875  1
  Ta  Ta27  1  0.856220  0.291555  0.521738  1
  Ta  Ta28  1  0.961851  0.502538  0.479556  1
  Ta  Ta29  1  0.119556  0.818064  0.496418  1
  Ta  Ta30  1  0.277419  0.133887  0.513344  1
  Ta  Ta31  1  0.013850  0.606970  0.538412  1
  Ta  Ta32  1  0.172044  0.923462  0.555382  1
  Ta  Ta33  1  0.329467  0.238401  0.572441  1
  Ta  Ta34  1  0.434968  0.449130  0.530086  1
  Ta  Ta35  1  0.592914  0.765159  0.546837  1
  Ta  Ta36  1  0.750955  0.081321  0.563874  1
  Ta  Ta37  1  0.486740  0.553109  0.588869  1
  Ta  Ta38  1  0.645389  0.870567  0.605588  1
  Ta  Ta39  1  0.803401  0.186665  0.623503  1
  Ta  Ta40  1  0.908007  0.395561  0.580660  1
  Ta  Ta41  1  0.065894  0.711500  0.597075  1
  Ta  Ta42  1  0.224964  0.029758  0.614840  1
  Ta  Ta43  1  0.960283  0.500469  0.639310  1
  Ta  Ta44  1  0.117991  0.816020  0.655346  1
  Ta  Ta45  1  0.277814  0.135641  0.674888  1
  Ta  Ta46  1  0.381273  0.342465  0.631746  1
  Ta  Ta47  1  0.539007  0.657969  0.647265  1
  Ta  Ta48  1  0.696951  0.974095  0.663500  1
  Ta  Ta49  1  0.436151  0.451980  0.687403  1
  Ta  Ta50  1  0.591049  0.762124  0.702748  1
  Ta  Ta51  1  0.742480  0.066131  0.717806  1
  Ta  Ta52  1  0.857334  0.294464  0.680109  1
  Ta  Ta53  1  0.013401  0.606626  0.694975  1
  Ta  Ta54  1  0.164782  0.910087  0.710563  1
