# generated using pymatgen data_LiYMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16243100 _cell_length_b 6.54033400 _cell_length_c 11.42241400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYMg6 _chemical_formula_sum 'Li2 Y2 Mg12' _cell_volume 385.66664892 _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 0.50000000 0.50000000 0.16406600 1.0 Li Li1 1 0.50000000 0.00000000 0.66406600 1.0 Y Y2 1 0.00000000 0.50000000 0.33210700 1.0 Y Y3 1 0.00000000 0.00000000 0.83210700 1.0 Mg Mg4 1 0.00000000 0.74373000 0.08130500 1.0 Mg Mg5 1 0.00000000 0.25627000 0.08130500 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33710300 1.0 Mg Mg7 1 0.50000000 0.24688400 0.41855200 1.0 Mg Mg8 1 0.50000000 0.75311600 0.41855200 1.0 Mg Mg9 1 0.50000000 0.00000000 0.16701000 1.0 Mg Mg10 1 0.00000000 0.24373000 0.58130500 1.0 Mg Mg11 1 0.00000000 0.75627000 0.58130500 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83710300 1.0 Mg Mg13 1 0.50000000 0.74688400 0.91855200 1.0 Mg Mg14 1 0.50000000 0.25311600 0.91855200 1.0 Mg Mg15 1 0.50000000 0.50000000 0.66701000 1.0