data_[K4Al4O8]
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 [Pna2_1]
_cell_length_a [5.5861]
_cell_length_b [7.7593]
_cell_length_c [5.5637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KAlO2]
_chemical_formula_sum '[K4 Al4 O8]'
_cell_volume [241.1562]
_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
[
  K  K0  4  0.0400  0.6229  0.9869  1.0
  Al  Al1  4  0.0391  0.1252  0.0008  1.0
  O  O2  4  0.0105  0.0492  0.3008  1.0
  O  O3  4  0.1642  0.7019  0.4560  1.0
]