data_[K6Al18]
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
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.4441]
_cell_length_b [6.4441]
_cell_length_c [15.3540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [KAl3]
_chemical_formula_sum '[K6 Al18]'
_cell_volume [637.6033]
_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
[
  K  K0  4  0.0000  0.5000  0.6251  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.2112  0.2180  1.0
  Al  Al3  8  0.0000  0.3023  0.3885  1.0
  Al  Al4  2  0.0000  0.0000  0.5000  1.0
]