data_[K6Al2H12]
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 [P2_1/c]
_cell_length_a [6.0551]
_cell_length_b [6.0345]
_cell_length_c [10.4281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3AlH6]
_chemical_formula_sum '[K6 Al2 H12]'
_cell_volume [312.8563]
_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  0.2420  0.5240  0.2476  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.1359  0.7363  0.4658  1.0
  H  H4  4  0.1999  0.1756  0.9683  1.0
  H  H5  4  0.2631  0.5144  0.7027  1.0
]