data_[Li4Al4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [6.4005]
_cell_length_b [10.4265]
_cell_length_c [4.5186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAlH4]
_chemical_formula_sum '[Li4 Al4 H16]'
_cell_volume [216.7203]
_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
[
  Li  Li0  4  0.0000  0.3613  0.7500  1.0
  Al  Al1  4  0.0000  0.1235  0.2500  1.0
  H  H2  8  0.1713  0.2074  0.6748  1.0
  H  H3  8  0.2463  0.4550  0.6820  1.0
]