data_[Ta16Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.9924]
_cell_length_b [3.9924]
_cell_length_c [26.1677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Ta2Al]
_chemical_formula_sum '[Ta16 Al8]'
_cell_volume [417.0981]
_cell_formula_units_Z [8]
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  Ta0  8  0.0000  0.0000  0.2509  1.0
  Ta  Ta1  8  0.0000  0.0000  0.4151  1.0
  Al  Al2  8  0.0000  0.0000  0.0820  1.0
]