data_[Li2Mg1Al1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pmmm]
_cell_length_a [3.1606]
_cell_length_b [4.6556]
_cell_length_c [6.2832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2MgAlH8]
_chemical_formula_sum '[Li2 Mg1 Al1 H8]'
_cell_volume [92.4540]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.5000  0.5000  0.2562  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  H  H3  4  0.0000  0.2390  0.2156  1
  H  H4  2  0.5000  0.2115  0.0000  1
  H  H5  2  0.5000  0.2509  0.5000  1
]