# generated using pymatgen data_MgTi4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97490983 _cell_length_b 5.15221055 _cell_length_c 6.39309008 _cell_angle_alpha 91.92406585 _cell_angle_beta 93.98357193 _cell_angle_gamma 102.96309686 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi4O8 _chemical_formula_sum 'Mg1 Ti4 O8' _cell_volume 159.10051436 _cell_formula_units_Z 1 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 0.68230361 0.41416773 0.34479036 1.0 Ti Ti1 1 0.35370938 0.83977266 0.38503003 1.0 Ti Ti2 1 0.07641446 0.25721527 0.06424922 1.0 Ti Ti3 1 0.52737016 0.25297061 0.80956344 1.0 Ti Ti4 1 0.00271350 0.72474255 0.85327987 1.0 O O5 1 0.68779187 0.03021030 0.35800663 1.0 O O6 1 0.17422437 0.92819687 0.14381973 1.0 O O7 1 0.78569384 0.47846726 0.05428869 1.0 O O8 1 0.29240528 0.47089493 0.31871773 1.0 O O9 1 0.74460602 0.52598718 0.64342520 1.0 O O10 1 0.26032153 0.48452721 0.85512360 1.0 O O11 1 0.79901110 0.03007805 0.87322223 1.0 O O12 1 0.26621286 0.96276936 0.65362628 1.0