# generated using pymatgen data_LiAlH4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04741809 _cell_length_b 6.04741809 _cell_length_c 6.04741809 _cell_angle_alpha 135.54029871 _cell_angle_beta 135.54029871 _cell_angle_gamma 64.69184696 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlH4 _chemical_formula_sum 'Li2 Al2 H8' _cell_volume 106.97116329 _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 0.25000000 0.75000000 0.50000000 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 Al Al2 1 0.75000000 0.25000000 0.50000000 1.0 Al Al3 1 0.00000000 0.00000000 0.00000000 1.0 H H4 1 0.58044200 0.50764700 0.42003200 1.0 H H5 1 0.08761500 0.16041000 0.57996800 1.0 H H6 1 0.91041000 0.83044200 0.57279500 1.0 H H7 1 0.25764700 0.33761500 0.42720500 1.0 H H8 1 0.16955800 0.74235300 0.07996800 1.0 H H9 1 0.66238500 0.08959000 0.92003200 1.0 H H10 1 0.83959000 0.41955800 0.92720500 1.0 H H11 1 0.49235300 0.91238500 0.07279500 1.0