data_[K2Al4H16]
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 [C2/m]
_cell_length_a [5.7291]
_cell_length_b [11.0133]
_cell_length_c [3.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(AlH4)2]
_chemical_formula_sum '[K2 Al4 H16]'
_cell_volume [231.1908]
_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  2  0.0000  0.0000  0.5000  1.0
  Al  Al1  4  0.0000  0.2650  0.0000  1.0
  H  H2  8  0.2327  0.1464  0.0013  1.0
  H  H3  4  0.0000  0.2585  0.5000  1.0
  H  H4  4  0.0017  0.5000  0.6032  1.0
]