# generated using pymatgen data_Ca8Mn6Al2O23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52989500 _cell_length_b 7.52989500 _cell_length_c 7.72749700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8Mn6Al2O23 _chemical_formula_sum 'Ca8 Mn6 Al2 O23' _cell_volume 438.14381524 _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 0.25883700 0.25883700 0.25000000 1.0 Ca Ca1 1 0.25537200 0.25537200 0.75000000 1.0 Ca Ca2 1 0.25883700 0.74116300 0.25000000 1.0 Ca Ca3 1 0.25537200 0.74462800 0.75000000 1.0 Ca Ca4 1 0.74116300 0.25883700 0.25000000 1.0 Ca Ca5 1 0.74462800 0.25537200 0.75000000 1.0 Ca Ca6 1 0.74116300 0.74116300 0.25000000 1.0 Ca Ca7 1 0.74462800 0.74462800 0.75000000 1.0 Mn Mn8 1 0.00000000 0.50000000 0.00476900 1.0 Mn Mn9 1 0.00000000 0.50000000 0.49523100 1.0 Mn Mn10 1 0.50000000 0.00000000 0.00476900 1.0 Mn Mn11 1 0.50000000 0.00000000 0.49523100 1.0 Mn Mn12 1 0.50000000 0.50000000 0.99935100 1.0 Mn Mn13 1 0.50000000 0.50000000 0.50064900 1.0 Al Al14 1 0.00000000 0.00000000 0.97580400 1.0 Al Al15 1 0.00000000 0.00000000 0.52419600 1.0 O O16 1 0.00000000 0.00000000 0.75000000 1.0 O O17 1 0.00000000 0.50000000 0.25000000 1.0 O O18 1 0.00000000 0.50000000 0.75000000 1.0 O O19 1 0.50000000 0.00000000 0.25000000 1.0 O O20 1 0.50000000 0.00000000 0.75000000 1.0 O O21 1 0.50000000 0.50000000 0.25000000 1.0 O O22 1 0.50000000 0.50000000 0.75000000 1.0 O O23 1 0.24193200 0.00000000 0.02093200 1.0 O O24 1 0.24193200 0.00000000 0.47906800 1.0 O O25 1 0.24999800 0.50000000 0.99874100 1.0 O O26 1 0.24999800 0.50000000 0.50125900 1.0 O O27 1 0.75806800 0.00000000 0.02093200 1.0 O O28 1 0.75806800 0.00000000 0.47906800 1.0 O O29 1 0.75000200 0.50000000 0.99874100 1.0 O O30 1 0.75000200 0.50000000 0.50125900 1.0 O O31 1 0.00000000 0.24193200 0.02093200 1.0 O O32 1 0.00000000 0.24193200 0.47906800 1.0 O O33 1 0.00000000 0.75806800 0.02093200 1.0 O O34 1 0.00000000 0.75806800 0.47906800 1.0 O O35 1 0.50000000 0.24999800 0.99874100 1.0 O O36 1 0.50000000 0.24999800 0.50125900 1.0 O O37 1 0.50000000 0.75000200 0.99874100 1.0 O O38 1 0.50000000 0.75000200 0.50125900 1.0