data_[Na6Al18Zn12]
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 [C2/m]
_cell_length_a [16.9912]
_cell_length_b [4.1322]
_cell_length_c [10.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAl3Zn2]
_chemical_formula_sum '[Na6 Al18 Zn12]'
_cell_volume [694.2280]
_cell_formula_units_Z [6]
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  4  0.1578  0.0000  0.7082  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0403  0.0000  0.3532  1
  Al  Al3  4  0.1216  0.5000  0.2027  1
  Al  Al4  4  0.1845  0.5000  0.9778  1
  Al  Al5  4  0.2082  0.0000  0.3879  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Zn  Zn7  4  0.0382  0.5000  0.7944  1
  Zn  Zn8  4  0.1418  0.5000  0.4716  1
  Zn  Zn9  4  0.1978  0.0000  0.1349  1
]