data_[Na4Al4O4]
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 [11.5495]
_cell_length_b [3.0143]
_cell_length_c [7.8547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAlO]
_chemical_formula_sum '[Na4 Al4 O4]'
_cell_volume [207.7718]
_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  0.0790  0.5000  0.2963  1
  Al  Al1  4  0.2391  0.5000  0.8363  1
  O  O2  4  0.1377  0.0000  0.8401  1
]