data_LiAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   135.37
_cell_angle_beta   135.37
_cell_angle_gamma   64.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlH4
_chemical_formula_sum   'Li2 Al2 H8'
_cell_volume   106.55
_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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.29  0.54  1.0
  Al  Al2  1  0.29  0.0  0.54  1.0
  Al  Al3  1  0.0  0.0  0.08  1.0
  H  H4  1  0.81  0.43  0.35  1.0
  H  H5  1  0.48  0.86  0.43  1.0
  H  H6  1  0.14  0.19  0.98  1.0
  H  H7  1  0.14  0.48  0.73  1.0
  H  H8  1  0.81  0.14  0.19  1.0
  H  H9  1  0.48  0.15  0.11  1.0
  H  H10  1  0.15  0.1  0.89  1.0
  H  H11  1  0.15  0.81  0.65  1.0

data_LiAlH4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.03
_cell_angle_alpha   112.32
_cell_angle_beta   112.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlH4
_chemical_formula_sum   'Li2 Al2 H8'
_cell_volume   106.55
_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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.25  0.54  0.25  1.0
  Al  Al2  1  0.08  0.08  0.08  1.0
  Al  Al3  1  0.54  0.25  0.25  1.0
  H  H4  1  0.05  0.38  0.24  1.0
  H  H5  1  0.26  0.59  0.12  1.0
  H  H6  1  0.57  0.96  0.1  1.0
  H  H7  1  0.79  0.84  0.65  1.0
  H  H8  1  0.79  0.74  0.64  1.0
  H  H9  1  0.84  0.5  0.69  1.0
  H  H10  1  0.92  0.54  0.11  1.0
  H  H11  1  0.96  0.63  0.48  1.0

Li Li Al Al H H H H H H H H
Li Li Al Al H H H H H H H H 0 3 o o o 1 7 o o o 1 4 - o o 1 8 - o o 2 5 o - o 3 8 - o o 4 8 o o o 4 7 + o o 6 10 o o o 6 9 o o + 8 9 o o o 9 10 o o - 10 11 o - o 