data_[Na18Al18Ge18O96]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [13.1033]
_cell_length_b [13.1033]
_cell_length_c [15.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Na3Al3Ge3O16]
_chemical_formula_sum '[Na18 Al18 Ge18 O96]'
_cell_volume [2351.2777]
_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  18  0.2090  0.7901  0.1043  1
  Al  Al1  18  0.0014  0.2478  0.2510  1
  Ge  Ge2  18  0.0002  0.2480  0.7512  1
  O  O3  18  0.0030  0.2895  0.8583  1
  O  O4  18  0.0031  0.7149  0.8584  1
  O  O5  18  0.0472  0.5228  0.3809  1
  O  O6  18  0.0524  0.1049  0.0191  1
  O  O7  18  0.1916  0.0955  0.7474  1
  O  O8  6  0.0000  0.0000  0.4422  1
]