data_[Cs6Al4H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.2005]
_cell_length_b [6.2005]
_cell_length_c [14.6921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cs3Al2H9]
_chemical_formula_sum '[Cs6 Al4 H18]'
_cell_volume [489.1751]
_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  0.3333  0.6667  0.4176  1
  Cs  Cs1  2  0.0000  0.0000  0.2500  1
  Al  Al2  4  0.3333  0.6667  0.6614  1
  H  H3  12  0.1958  0.3916  0.6053  1
  H  H4  6  0.0838  0.5419  0.7500  1
]