data_[Cs3Na6Al3H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7755]
_cell_length_b [5.7755]
_cell_length_c [15.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2AlH6]
_chemical_formula_sum '[Cs3 Na6 Al3 H18]'
_cell_volume [451.3060]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5409  1.0
  Na  Na1  3  0.0000  0.0000  0.3100  1.0
  Na  Na2  3  0.0000  0.0000  0.7889  1.0
  Al  Al3  3  0.0000  0.0000  0.9849  1.0
  H  H4  9  0.0561  0.5587  0.5800  1.0
  H  H5  9  0.1214  0.3737  0.7117  1.0
]