data_[Cs4Li2Al2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.1501]
_cell_length_b [7.8471]
_cell_length_c [6.4578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2LiAlH6]
_chemical_formula_sum '[Cs4 Li2 Al2 H12]'
_cell_volume [311.6589]
_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
[
  Cs  Cs0  4  0.0000  0.2421  0.2180  1.0
  Li  Li1  2  0.0000  0.5000  0.6364  1.0
  Al  Al2  2  0.0000  0.0000  0.7214  1.0
  H  H3  4  0.0000  0.2382  0.7136  1.0
  H  H4  4  0.1968  0.0000  0.9120  1.0
  H  H5  4  0.2136  0.0000  0.5260  1.0
]