# generated using pymatgen data_LaMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17195300 _cell_length_b 6.64324400 _cell_length_c 11.57647200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMg6Zr _chemical_formula_sum 'La2 Mg12 Zr2' _cell_volume 397.75074267 _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 La La0 1 0.50000000 0.50000000 0.17954100 1.0 La La1 1 0.50000000 0.00000000 0.67954100 1.0 Mg Mg2 1 0.00000000 0.76040900 0.07734200 1.0 Mg Mg3 1 0.00000000 0.23959100 0.07734200 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33401900 1.0 Mg Mg5 1 0.50000000 0.26050100 0.42061900 1.0 Mg Mg6 1 0.50000000 0.73949900 0.42061900 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16533300 1.0 Mg Mg8 1 0.00000000 0.26040900 0.57734200 1.0 Mg Mg9 1 0.00000000 0.73959100 0.57734200 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83401900 1.0 Mg Mg11 1 0.50000000 0.76050100 0.92061900 1.0 Mg Mg12 1 0.50000000 0.23949900 0.92061900 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66533300 1.0 Zr Zr14 1 0.00000000 0.50000000 0.32518300 1.0 Zr Zr15 1 0.00000000 0.00000000 0.82518300 1.0