# generated using pymatgen data_Ca8TiMn7O23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65215300 _cell_length_b 7.65215300 _cell_length_c 7.65005300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8TiMn7O23 _chemical_formula_sum 'Ca8 Ti1 Mn7 O23' _cell_volume 447.95226178 _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 0.26272600 0.26272600 0.25101700 1.0 Ca Ca1 1 0.26192500 0.26192500 0.74422000 1.0 Ca Ca2 1 0.26272600 0.73727400 0.25101700 1.0 Ca Ca3 1 0.26192500 0.73807500 0.74422000 1.0 Ca Ca4 1 0.73727400 0.26272600 0.25101700 1.0 Ca Ca5 1 0.73807500 0.26192500 0.74422000 1.0 Ca Ca6 1 0.73727400 0.73727400 0.25101700 1.0 Ca Ca7 1 0.73807500 0.73807500 0.74422000 1.0 Ti Ti8 1 0.00000000 0.00000000 0.98576200 1.0 Mn Mn9 1 0.00000000 0.00000000 0.49850400 1.0 Mn Mn10 1 0.00000000 0.50000000 0.00617700 1.0 Mn Mn11 1 0.00000000 0.50000000 0.49753400 1.0 Mn Mn12 1 0.50000000 0.00000000 0.00617700 1.0 Mn Mn13 1 0.50000000 0.00000000 0.49753400 1.0 Mn Mn14 1 0.50000000 0.50000000 0.99983200 1.0 Mn Mn15 1 0.50000000 0.50000000 0.49987400 1.0 O O16 1 0.00000000 0.00000000 0.75462600 1.0 O O17 1 0.00000000 0.50000000 0.25123400 1.0 O O18 1 0.00000000 0.50000000 0.75120800 1.0 O O19 1 0.50000000 0.00000000 0.25123400 1.0 O O20 1 0.50000000 0.00000000 0.75120800 1.0 O O21 1 0.50000000 0.50000000 0.25047400 1.0 O O22 1 0.50000000 0.50000000 0.74983200 1.0 O O23 1 0.24793900 0.00000000 0.02559700 1.0 O O24 1 0.24815000 0.00000000 0.47743400 1.0 O O25 1 0.25007000 0.50000000 0.99815200 1.0 O O26 1 0.25075700 0.50000000 0.50327800 1.0 O O27 1 0.75206100 0.00000000 0.02559700 1.0 O O28 1 0.75185000 0.00000000 0.47743400 1.0 O O29 1 0.74993000 0.50000000 0.99815200 1.0 O O30 1 0.74924300 0.50000000 0.50327800 1.0 O O31 1 0.00000000 0.24793900 0.02559700 1.0 O O32 1 0.00000000 0.24815000 0.47743400 1.0 O O33 1 0.00000000 0.75206100 0.02559700 1.0 O O34 1 0.00000000 0.75185000 0.47743400 1.0 O O35 1 0.50000000 0.25007000 0.99815200 1.0 O O36 1 0.50000000 0.25075700 0.50327800 1.0 O O37 1 0.50000000 0.74993000 0.99815200 1.0 O O38 1 0.50000000 0.74924300 0.50327800 1.0