# generated using pymatgen data_MnAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23073065 _cell_length_b 3.23073065 _cell_length_c 11.46382500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001325 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlO3 _chemical_formula_sum 'Mn2 Al2 O6' _cell_volume 103.62430348 _cell_formula_units_Z 2 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 0.66666700 0.33333300 0.75000000 1.0 Mn Mn1 1 0.33333300 0.66666700 0.25000000 1.0 Al Al2 1 0.00000000 0.00000000 0.50000000 1.0 Al Al3 1 0.00000000 0.00000000 0.00000000 1.0 O O4 1 0.33333300 0.66666700 0.42424100 1.0 O O5 1 0.66666700 0.33333300 0.92424100 1.0 O O6 1 0.66666700 0.33333300 0.57575900 1.0 O O7 1 0.33333300 0.66666700 0.07575900 1.0 O O8 1 0.00000000 0.00000000 0.25000000 1.0 O O9 1 0.00000000 0.00000000 0.75000000 1.0