data_[Li4Al2H8]
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/m]
_cell_length_a [9.5386]
_cell_length_b [3.0861]
_cell_length_c [4.5897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2AlH4]
_chemical_formula_sum '[Li4 Al2 H8]'
_cell_volume [124.6678]
_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
[
  Li  Li0  4  0.1900  0.5000  0.6765  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  H  H2  4  0.1017  0.5000  0.9537  1
  H  H3  4  0.1276  0.0000  0.4106  1
]