# generated using pymatgen data_SmMn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70648833 _cell_length_b 7.39461808 _cell_length_c 8.57926042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmMn2O5 _chemical_formula_sum 'Sm4 Mn8 O20' _cell_volume 362.02164098 _cell_formula_units_Z 4 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 Sm Sm0 1 -0.00000000 0.36041379 0.67211828 1.0 Sm Sm1 1 -0.00000000 0.63958621 0.32788172 1.0 Sm Sm2 1 -0.00000000 0.86041379 0.82788172 1.0 Sm Sm3 1 -0.00000000 0.13958621 0.17211828 1.0 Mn Mn4 1 0.50000000 0.08907358 0.85043141 1.0 Mn Mn5 1 0.50000000 0.91092642 0.14956859 1.0 Mn Mn6 1 0.50000000 0.58907358 0.64956859 1.0 Mn Mn7 1 0.50000000 0.41092642 0.35043141 1.0 Mn Mn8 1 0.25604331 0.50000000 -0.00000000 1.0 Mn Mn9 1 0.74395669 0.00000000 0.50000000 1.0 Mn Mn10 1 0.74395669 0.50000000 -0.00000000 1.0 Mn Mn11 1 0.25604331 -0.00000000 0.50000000 1.0 O O12 1 0.24818982 0.89911700 0.29382832 1.0 O O13 1 0.24818982 0.10088300 0.70617168 1.0 O O14 1 0.75181018 0.39911700 0.20617168 1.0 O O15 1 0.75181018 0.60088300 0.79382832 1.0 O O16 1 0.75181018 0.10088300 0.70617168 1.0 O O17 1 0.75181018 0.89911700 0.29382832 1.0 O O18 1 0.24818982 0.60088300 0.79382832 1.0 O O19 1 0.24818982 0.39911700 0.20617168 1.0 O O20 1 0.50000000 0.34661217 0.93607503 1.0 O O21 1 0.50000000 0.65338783 0.06392497 1.0 O O22 1 0.50000000 0.84661217 0.56392497 1.0 O O23 1 0.50000000 0.15338783 0.43607503 1.0 O O24 1 0.27579815 0.00000000 -0.00000000 1.0 O O25 1 0.72420185 0.50000000 0.50000000 1.0 O O26 1 0.72420185 -0.00000000 -0.00000000 1.0 O O27 1 0.27579815 0.50000000 0.50000000 1.0 O O28 1 -0.00000000 0.15970317 0.44686953 1.0 O O29 1 -0.00000000 0.84029683 0.55313047 1.0 O O30 1 -0.00000000 0.65970317 0.05313047 1.0 O O31 1 -0.00000000 0.34029683 0.94686953 1.0