data_[Ta12Nb12Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [8.0634]
_cell_length_b [8.0634]
_cell_length_c [8.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Ta3Nb3Al]
_chemical_formula_sum '[Ta12 Nb12 Al4]'
_cell_volume [524.2735]
_cell_formula_units_Z [4]
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  4  0.0364  0.4636  0.5364  1
  Ta  Ta1  4  0.1511  0.8489  0.3489  1
  Ta  Ta2  4  0.1649  0.1649  0.1649  1
  Nb  Nb3  12  0.0567  0.3257  0.8677  1
  Al  Al4  4  0.1476  0.6476  0.8524  1
]