data_[Mg4Al4H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [4.5077]
_cell_length_b [13.0120]
_cell_length_c [4.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [MgAlH5]
_chemical_formula_sum '[Mg4 Al4 H20]'
_cell_volume [250.6421]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.3207  0.2500  1.0
  Al  Al1  4  0.0000  0.0909  0.2500  1.0
  H  H2  8  0.1555  0.1947  0.4705  1.0
  H  H3  8  0.1909  0.5921  0.4704  1.0
  H  H4  4  0.1644  0.0000  0.5000  1.0
]