# generated using pymatgen data_Ti3Mn3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40956579 _cell_length_b 8.40956579 _cell_length_c 8.40956579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Mn3O _chemical_formula_sum 'Ti12 Mn12 O4' _cell_volume 420.53846035 _cell_formula_units_Z 4 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 Ti Ti0 1 0.93203500 0.93203500 0.56796500 1.0 Ti Ti1 1 0.68203500 0.31796500 0.31796500 1.0 Ti Ti2 1 0.31796500 0.68203500 0.68203500 1.0 Ti Ti3 1 0.68203500 0.68203500 0.31796500 1.0 Ti Ti4 1 0.68203500 0.31796500 0.68203500 1.0 Ti Ti5 1 0.31796500 0.68203500 0.31796500 1.0 Ti Ti6 1 0.56796500 0.93203500 0.56796500 1.0 Ti Ti7 1 0.56796500 0.93203500 0.93203500 1.0 Ti Ti8 1 0.93203500 0.56796500 0.56796500 1.0 Ti Ti9 1 0.93203500 0.56796500 0.93203500 1.0 Ti Ti10 1 0.31796500 0.31796500 0.68203500 1.0 Ti Ti11 1 0.56796500 0.56796500 0.93203500 1.0 Mn Mn12 1 0.12500000 0.62500000 0.12500000 1.0 Mn Mn13 1 0.12500000 0.12500000 0.62500000 1.0 Mn Mn14 1 0.62500000 0.12500000 0.12500000 1.0 Mn Mn15 1 0.12500000 0.12500000 0.12500000 1.0 Mn Mn16 1 0.91129000 0.26613000 0.91129000 1.0 Mn Mn17 1 0.33871000 0.33871000 0.98387000 1.0 Mn Mn18 1 0.98387000 0.33871000 0.33871000 1.0 Mn Mn19 1 0.33871000 0.33871000 0.33871000 1.0 Mn Mn20 1 0.26613000 0.91129000 0.91129000 1.0 Mn Mn21 1 0.91129000 0.91129000 0.91129000 1.0 Mn Mn22 1 0.91129000 0.91129000 0.26613000 1.0 Mn Mn23 1 0.33871000 0.98387000 0.33871000 1.0 O O24 1 0.62500000 0.12500000 0.62500000 1.0 O O25 1 0.62500000 0.62500000 0.12500000 1.0 O O26 1 0.12500000 0.62500000 0.62500000 1.0 O O27 1 0.62500000 0.62500000 0.62500000 1.0