data_[Na12Al4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3388]
_cell_length_b [10.2689]
_cell_length_c [5.8854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3AlO3]
_chemical_formula_sum '[Na12 Al4 O12]'
_cell_volume [378.4447]
_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
[
  Na  Na0  4  0.0000  0.2022  0.5000  1.0
  Na  Na1  4  0.0000  0.2622  0.0000  1.0
  Na  Na2  4  0.1251  0.5000  0.3607  1.0
  Al  Al3  4  0.1747  0.0000  0.1464  1.0
  O  O4  8  0.1966  0.3591  0.7338  1.0
  O  O5  4  0.1089  0.0000  0.8323  1.0
]