data_[Na6Al6Zn6S18O72]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.4733]
_cell_length_b [8.4733]
_cell_length_c [22.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [NaAlZn(SO4)3]
_chemical_formula_sum '[Na6 Al6 Zn6 S18 O72]'
_cell_volume [1377.2172]
_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  6  0.0000  0.0000  0.4982  1
  Al  Al1  6  0.0000  0.0000  0.1486  1
  Zn  Zn2  6  0.0000  0.0000  0.3510  1
  S  S3  18  0.0052  0.2942  0.2503  1
  O  O4  18  0.0151  0.1947  0.9100  1
  O  O5  18  0.0358  0.8269  0.6953  1
  O  O6  18  0.1468  0.4533  0.9716  1
  O  O7  18  0.1755  0.4773  0.2567  1
]