# generated using pymatgen data_NaNd3Ti3MnO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53492000 _cell_length_b 5.52810200 _cell_length_c 15.73701900 _cell_angle_alpha 89.90865887 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNd3Ti3MnO12 _chemical_formula_sum 'Na2 Nd6 Ti6 Mn2 O24' _cell_volume 481.51443714 _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 Na Na0 1 0.49121400 0.74986800 0.62248400 1.0 Na Na1 1 0.99121400 0.25013200 0.37751600 1.0 Nd Nd2 1 0.02049200 0.23543700 0.12476600 1.0 Nd Nd3 1 0.01285800 0.24221900 0.61828800 1.0 Nd Nd4 1 0.48352200 0.73560100 0.12511600 1.0 Nd Nd5 1 0.52049200 0.76456300 0.87523400 1.0 Nd Nd6 1 0.51285800 0.75778100 0.38171200 1.0 Nd Nd7 1 0.98352200 0.26439900 0.87488400 1.0 Ti Ti8 1 0.00029400 0.74878400 0.50058500 1.0 Ti Ti9 1 0.50029400 0.25121600 0.49941500 1.0 Ti Ti10 1 0.49168700 0.25263600 0.74559300 1.0 Ti Ti11 1 0.50538000 0.24843100 0.25520200 1.0 Ti Ti12 1 0.00538000 0.75156900 0.74479800 1.0 Ti Ti13 1 0.99168700 0.74736400 0.25440700 1.0 Mn Mn14 1 0.00124300 0.74989600 0.99976100 1.0 Mn Mn15 1 0.50124300 0.25010400 0.00023900 1.0 O O16 1 0.90532800 0.76154100 0.13559800 1.0 O O17 1 0.92614400 0.75351300 0.62335000 1.0 O O18 1 0.74531600 0.99906400 0.27616100 1.0 O O19 1 0.73878600 0.51239200 0.97098200 1.0 O O20 1 0.74558400 0.50633700 0.47957100 1.0 O O21 1 0.76266100 0.01170800 0.97107700 1.0 O O22 1 0.75759400 0.00781900 0.77424400 1.0 O O23 1 0.73244300 0.51744400 0.27622600 1.0 O O24 1 0.75152700 0.99991400 0.48011500 1.0 O O25 1 0.74166600 0.50502100 0.77461000 1.0 O O26 1 0.58654200 0.25017400 0.62408200 1.0 O O27 1 0.59971800 0.26276600 0.13644100 1.0 O O28 1 0.40532800 0.23845900 0.86440200 1.0 O O29 1 0.42614400 0.24648700 0.37665000 1.0 O O30 1 0.24531600 0.00093600 0.72383900 1.0 O O31 1 0.25759400 0.99218100 0.22575600 1.0 O O32 1 0.23244300 0.48255600 0.72377400 1.0 O O33 1 0.23878600 0.48760800 0.02901800 1.0 O O34 1 0.24166600 0.49497900 0.22539000 1.0 O O35 1 0.26266100 0.98829200 0.02892300 1.0 O O36 1 0.24558400 0.49366300 0.52042900 1.0 O O37 1 0.25152700 0.00008600 0.51988500 1.0 O O38 1 0.09971800 0.73723400 0.86355900 1.0 O O39 1 0.08654200 0.74982600 0.37591800 1.0