# generated using pymatgen data_MnAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60445217 _cell_length_b 5.60445217 _cell_length_c 11.39488400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000198 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlO3 _chemical_formula_sum 'Mn6 Al6 O18' _cell_volume 309.96086582 _cell_formula_units_Z 6 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 Mn Mn0 1 0.66693900 0.00000000 0.50169600 1.0 Mn Mn1 1 0.66693900 0.66693900 0.00169600 1.0 Mn Mn2 1 0.00000000 0.33306100 0.00169600 1.0 Mn Mn3 1 0.00000000 0.66693900 0.50169600 1.0 Mn Mn4 1 0.33306100 0.33306100 0.50169600 1.0 Mn Mn5 1 0.33306100 0.00000000 0.00169600 1.0 Al Al6 1 0.66666700 0.33333300 0.25079500 1.0 Al Al7 1 0.33333300 0.66666700 0.75079500 1.0 Al Al8 1 0.66666700 0.33333300 0.75079500 1.0 Al Al9 1 0.33333300 0.66666700 0.25079500 1.0 Al Al10 1 0.00000000 0.00000000 0.75427300 1.0 Al Al11 1 0.00000000 0.00000000 0.25427300 1.0 O O12 1 0.66666700 0.33333300 0.00945000 1.0 O O13 1 0.33333300 0.66666700 0.50945000 1.0 O O14 1 0.66666700 0.33333300 0.50945000 1.0 O O15 1 0.33333300 0.66666700 0.00945000 1.0 O O16 1 0.00000000 0.00000000 0.98490900 1.0 O O17 1 0.00000000 0.00000000 0.48490900 1.0 O O18 1 0.34635600 0.00000000 0.82731500 1.0 O O19 1 0.34635600 0.34635600 0.32731500 1.0 O O20 1 0.00000000 0.65364400 0.32731500 1.0 O O21 1 0.00000000 0.34635600 0.82731500 1.0 O O22 1 0.65364400 0.65364400 0.82731500 1.0 O O23 1 0.65364400 0.00000000 0.32731500 1.0 O O24 1 0.32197000 0.00000000 0.17609900 1.0 O O25 1 0.32197000 0.32197000 0.67609900 1.0 O O26 1 0.00000000 0.67803000 0.67609900 1.0 O O27 1 0.00000000 0.32197000 0.17609900 1.0 O O28 1 0.67803000 0.67803000 0.17609900 1.0 O O29 1 0.67803000 0.00000000 0.67609900 1.0