# generated using pymatgen data_Ti4Fe2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03179965 _cell_length_b 8.03179965 _cell_length_c 8.03179965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Fe2O _chemical_formula_sum 'Ti16 Fe8 O4' _cell_volume 366.37311974 _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 0.56340100 0.93659900 0.56340100 1.0 Ti Ti1 1 0.31340100 0.68659900 0.68659900 1.0 Ti Ti2 1 0.68659900 0.31340100 0.31340100 1.0 Ti Ti3 1 0.31340100 0.68659900 0.31340100 1.0 Ti Ti4 1 0.68659900 0.68659900 0.31340100 1.0 Ti Ti5 1 0.31340100 0.31340100 0.68659900 1.0 Ti Ti6 1 0.56340100 0.56340100 0.93659900 1.0 Ti Ti7 1 0.93659900 0.56340100 0.56340100 1.0 Ti Ti8 1 0.56340100 0.93659900 0.93659900 1.0 Ti Ti9 1 0.93659900 0.93659900 0.56340100 1.0 Ti Ti10 1 0.68659900 0.31340100 0.68659900 1.0 Ti Ti11 1 0.93659900 0.56340100 0.93659900 1.0 Ti Ti12 1 0.12500000 0.12500000 0.12500000 1.0 Ti Ti13 1 0.62500000 0.12500000 0.12500000 1.0 Ti Ti14 1 0.12500000 0.62500000 0.12500000 1.0 Ti Ti15 1 0.12500000 0.12500000 0.62500000 1.0 Fe Fe16 1 0.91413300 0.91413300 0.91413300 1.0 Fe Fe17 1 0.99240000 0.33586700 0.33586700 1.0 Fe Fe18 1 0.33586700 0.99240000 0.33586700 1.0 Fe Fe19 1 0.33586700 0.33586700 0.99240000 1.0 Fe Fe20 1 0.91413300 0.25760000 0.91413300 1.0 Fe Fe21 1 0.91413300 0.91413300 0.25760000 1.0 Fe Fe22 1 0.25760000 0.91413300 0.91413300 1.0 Fe Fe23 1 0.33586700 0.33586700 0.33586700 1.0 O O24 1 0.62500000 0.62500000 0.62500000 1.0 O O25 1 0.12500000 0.62500000 0.62500000 1.0 O O26 1 0.62500000 0.12500000 0.62500000 1.0 O O27 1 0.62500000 0.62500000 0.12500000 1.0