data_[Na16Al16Zn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.0474]
_cell_length_b [9.0346]
_cell_length_c [21.1654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NaAlZn]
_chemical_formula_sum '[Na16 Al16 Zn16]'
_cell_volume [965.1748]
_cell_formula_units_Z [16]
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
[
  Na  Na0  16  0.0000  0.1679  0.0000  1.0
  Al  Al1  16  0.0000  0.0000  0.4164  1.0
  Zn  Zn2  16  0.0000  0.0000  0.1249  1.0
]