data_[K6Al4H18]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6362]
_cell_length_b [5.6362]
_cell_length_c [13.9838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [K3Al2H9]
_chemical_formula_sum '[K6 Al4 H18]'
_cell_volume [384.7024]
_cell_formula_units_Z [2]
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  0.3333  0.6667  0.4211  1
  K  K1  2  0.0000  0.0000  0.2500  1
  Al  Al2  4  0.3333  0.6667  0.6576  1
  H  H3  12  0.1822  0.3645  0.5996  1
  H  H4  6  0.0582  0.5291  0.7500  1
]