# generated using pymatgen data_Ca8Ti3Mn5O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68237700 _cell_length_b 7.66990800 _cell_length_c 7.68237700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8Ti3Mn5O24 _chemical_formula_sum 'Ca8 Ti3 Mn5 O24' _cell_volume 452.66965882 _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 Ca Ca0 1 0.25226900 0.25731200 0.25226900 1.0 Ca Ca1 1 0.25226900 0.25731200 0.74773100 1.0 Ca Ca2 1 0.25226900 0.74268800 0.25226900 1.0 Ca Ca3 1 0.25226900 0.74268800 0.74773100 1.0 Ca Ca4 1 0.74773100 0.25731200 0.25226900 1.0 Ca Ca5 1 0.74773100 0.25731200 0.74773100 1.0 Ca Ca6 1 0.74773100 0.74268800 0.25226900 1.0 Ca Ca7 1 0.74773100 0.74268800 0.74773100 1.0 Ti Ti8 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti9 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn11 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn12 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn13 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn14 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn15 1 0.50000000 0.50000000 0.50000000 1.0 O O16 1 0.00000000 0.00000000 0.25053700 1.0 O O17 1 0.00000000 0.00000000 0.74946300 1.0 O O18 1 0.00000000 0.50000000 0.25014100 1.0 O O19 1 0.00000000 0.50000000 0.74985900 1.0 O O20 1 0.50000000 0.00000000 0.25282200 1.0 O O21 1 0.50000000 0.00000000 0.74717800 1.0 O O22 1 0.50000000 0.50000000 0.25015200 1.0 O O23 1 0.50000000 0.50000000 0.74984800 1.0 O O24 1 0.25053700 0.00000000 0.00000000 1.0 O O25 1 0.25282200 0.00000000 0.50000000 1.0 O O26 1 0.25014100 0.50000000 0.00000000 1.0 O O27 1 0.25015200 0.50000000 0.50000000 1.0 O O28 1 0.74946300 0.00000000 0.00000000 1.0 O O29 1 0.74717800 0.00000000 0.50000000 1.0 O O30 1 0.74985900 0.50000000 0.00000000 1.0 O O31 1 0.74984800 0.50000000 0.50000000 1.0 O O32 1 0.00000000 0.25378100 0.00000000 1.0 O O33 1 0.00000000 0.25346900 0.50000000 1.0 O O34 1 0.00000000 0.74621900 0.00000000 1.0 O O35 1 0.00000000 0.74653100 0.50000000 1.0 O O36 1 0.50000000 0.25346900 0.00000000 1.0 O O37 1 0.50000000 0.25064300 0.50000000 1.0 O O38 1 0.50000000 0.74653100 0.00000000 1.0 O O39 1 0.50000000 0.74935700 0.50000000 1.0