# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65593740
_cell_length_b   4.65593740
_cell_length_c   47.48115801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta22
_cell_volume   891.386800999
_cell_formula_units_Z   22
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  0.836011  0.918452  0.313820  1
  Ta  Ta2  1  0.169345  0.585119  0.294849  1
  Ta  Ta3  1  0.169345  0.585119  0.351596  1
  Ta  Ta4  1  0.502678  0.251785  0.329815  1
  Ta  Ta5  1  0.502678  0.251785  0.390972  1
  Ta  Ta6  1  0.836011  0.918452  0.371315  1
  Ta  Ta7  1  0.836011  0.918452  0.431689  1
  Ta  Ta8  1  0.169345  0.585119  0.411590  1
  Ta  Ta9  1  0.169345  0.585119  0.471974  1
  Ta  Ta10  1  0.502678  0.251785  0.451756  1
  Ta  Ta11  1  0.502678  0.251785  0.512255  1
  Ta  Ta12  1  0.836011  0.918452  0.492125  1
  Ta  Ta13  1  0.836011  0.918452  0.552624  1
  Ta  Ta14  1  0.169345  0.585119  0.532406  1
  Ta  Ta15  1  0.169345  0.585119  0.592790  1
  Ta  Ta16  1  0.502678  0.251785  0.572691  1
  Ta  Ta17  1  0.502678  0.251785  0.633065  1
  Ta  Ta18  1  0.836011  0.918452  0.613408  1
  Ta  Ta19  1  0.836011  0.918452  0.674565  1
  Ta  Ta20  1  0.169345  0.585119  0.652784  1
  Ta  Ta21  1  0.169345  0.585119  0.709532  1
  Ta  Ta22  1  0.502678  0.251785  0.690561  1
