data_[Rb12Al4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.3373]
_cell_length_b [11.6543]
_cell_length_c [6.8965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3AlO3]
_chemical_formula_sum '[Rb12 Al4 O12]'
_cell_volume [571.5385]
_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
[
  Rb  Rb0  4  0.0000  0.2003  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2652  0.0000  1.0
  Rb  Rb2  4  0.1294  0.5000  0.3459  1.0
  Al  Al3  4  0.1556  0.0000  0.1465  1.0
  O  O4  8  0.2275  0.3744  0.7383  1.0
  O  O5  4  0.1001  0.0000  0.8690  1.0
]