# generated using pymatgen
data_Li3AlH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55819930
_cell_length_b   5.55819961
_cell_length_c   5.55819896
_cell_angle_alpha   91.39896208
_cell_angle_beta   91.39896783
_cell_angle_gamma   91.39896047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3AlH6
_chemical_formula_sum   'Li6 Al2 H12'
_cell_volume   171.55657762
_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  0.74940464  0.56741285  0.06095176  1
  Li  Li1  1  0.06095176  0.74940464  0.56741285  1
  Li  Li2  1  0.25059536  0.43258715  0.93904824  1
  Li  Li3  1  0.93904824  0.25059536  0.43258715  1
  Li  Li4  1  0.56741285  0.06095176  0.74940464  1
  Li  Li5  1  0.43258715  0.93904824  0.25059536  1
  Al  Al6  1  0.50000000  0.50000000  0.50000000  1
  Al  Al7  1  -0.00000000  0.00000000  0.00000000  1
  H  H8  1  0.08894065  0.95173727  0.29501901  1
  H  H9  1  0.91105935  0.04826273  0.70498099  1
  H  H10  1  0.20508770  0.42669059  0.56940799  1
  H  H11  1  0.56940799  0.20508770  0.42669059  1
  H  H12  1  0.42669059  0.56940799  0.20508770  1
  H  H13  1  0.79491230  0.57330941  0.43059201  1
  H  H14  1  0.43059201  0.79491230  0.57330941  1
  H  H15  1  0.57330941  0.43059201  0.79491230  1
  H  H16  1  0.70498099  0.91105935  0.04826273  1
  H  H17  1  0.95173727  0.29501901  0.08894065  1
  H  H18  1  0.29501901  0.08894065  0.95173727  1
  H  H19  1  0.04826273  0.70498099  0.91105935  1
