# generated using pymatgen data_Mg6TiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01259500 _cell_length_b 5.85426700 _cell_length_c 10.94074400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiSi _chemical_formula_sum 'Mg12 Ti2 Si2' _cell_volume 321.05689298 _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 Mg Mg0 1 0.50000000 0.24912800 0.42114000 1.0 Mg Mg1 1 0.50000000 0.75087200 0.42114000 1.0 Mg Mg2 1 0.00000000 0.75357300 0.08187300 1.0 Mg Mg3 1 0.00000000 0.24642700 0.08187300 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32769900 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32511100 1.0 Mg Mg6 1 0.50000000 0.74912800 0.92114000 1.0 Mg Mg7 1 0.50000000 0.25087200 0.92114000 1.0 Mg Mg8 1 0.00000000 0.25357300 0.58187300 1.0 Mg Mg9 1 0.00000000 0.74642700 0.58187300 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82769900 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82511100 1.0 Ti Ti12 1 0.50000000 0.00000000 0.17345600 1.0 Ti Ti13 1 0.50000000 0.50000000 0.67345600 1.0 Si Si14 1 0.50000000 0.50000000 0.16770200 1.0 Si Si15 1 0.50000000 0.00000000 0.66770200 1.0