# generated using pymatgen data_Sm3IrO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53241273 _cell_length_b 6.53244972 _cell_length_c 7.46619853 _cell_angle_alpha 90.00120812 _cell_angle_beta 90.00146923 _cell_angle_gamma 111.32920745 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3IrO7 _chemical_formula_sum 'Sm6 Ir2 O14' _cell_volume 296.78015088 _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 Sm Sm0 1 0.00003257 0.00003220 -0.00000170 1.0 Sm Sm1 1 0.00003084 0.00003002 0.49999982 1.0 Sm Sm2 1 0.47572916 0.92079780 0.74997999 1.0 Sm Sm3 1 0.52427314 0.07921392 0.25001877 1.0 Sm Sm4 1 0.92079931 0.47572681 0.75000871 1.0 Sm Sm5 1 0.07921099 0.52427549 0.24998959 1.0 Ir Ir6 1 0.49999554 0.49999498 0.00000811 1.0 Ir Ir7 1 0.49999463 0.49999195 0.49998097 1.0 O O8 1 0.59545000 0.59544936 0.75000637 1.0 O O9 1 0.40455167 0.40455300 0.25000715 1.0 O O10 1 0.84424787 0.10801012 0.74998841 1.0 O O11 1 0.15575389 0.89199384 0.25000959 1.0 O O12 1 0.10801070 0.84424866 0.74998780 1.0 O O13 1 0.89199256 0.15575112 0.25001720 1.0 O O14 1 0.44073894 0.18536506 0.96040986 1.0 O O15 1 0.55923967 0.81466341 0.46039205 1.0 O O16 1 0.18532190 0.44072832 0.96041235 1.0 O O17 1 0.81461731 0.55922927 0.46038874 1.0 O O18 1 0.44073658 0.18532986 0.53960610 1.0 O O19 1 0.55923376 0.81461982 0.03959247 1.0 O O20 1 0.81466541 0.55924396 0.03958863 1.0 O O21 1 0.18537157 0.44075000 0.53961001 1.0