data_[K16Al16O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6959]
_cell_length_b [8.6953]
_cell_length_c [12.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KAlO2]
_chemical_formula_sum '[K16 Al16 O32]'
_cell_volume [933.7086]
_cell_formula_units_Z [16]
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
[
  K  K0  8  0.0315  0.1895  0.8807  1
  K  K1  8  0.2139  0.4389  0.5974  1
  Al  Al2  8  0.1019  0.1875  0.1638  1
  Al  Al3  8  0.1438  0.4337  0.3344  1
  O  O4  8  0.0413  0.3105  0.4171  1
  O  O5  8  0.2116  0.0599  0.0920  1
  O  O6  8  0.2337  0.3108  0.2488  1
  O  O7  4  0.0000  0.0770  0.2500  1
  O  O8  4  0.0000  0.4549  0.7500  1
]