# generated using pymatgen data_Sr4CeSm3Nb2(CuO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93859000 _cell_length_b 3.93859000 _cell_length_c 29.08571300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4CeSm3Nb2(CuO5)4 _chemical_formula_sum 'Sr4 Ce1 Sm3 Nb2 Cu4 O20' _cell_volume 451.19186661 _cell_formula_units_Z 1 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 Sr Sr0 1 0.00000000 0.00000000 0.42180100 1.0 Sr Sr1 1 0.50000000 0.50000000 0.91569200 1.0 Sr Sr2 1 0.50000000 0.50000000 0.07991100 1.0 Sr Sr3 1 0.00000000 0.00000000 0.58517600 1.0 Ce Ce4 1 0.00000000 0.00000000 0.29358100 1.0 Sm Sm5 1 0.50000000 0.50000000 0.79156000 1.0 Sm Sm6 1 0.50000000 0.50000000 0.20553100 1.0 Sm Sm7 1 0.00000000 0.00000000 0.70867600 1.0 Nb Nb8 1 0.00000000 0.00000000 0.99952100 1.0 Nb Nb9 1 0.50000000 0.50000000 0.50043100 1.0 Cu Cu10 1 0.50000000 0.50000000 0.35623900 1.0 Cu Cu11 1 0.00000000 0.00000000 0.85696500 1.0 Cu Cu12 1 0.00000000 0.00000000 0.14307300 1.0 Cu Cu13 1 0.50000000 0.50000000 0.64393700 1.0 O O14 1 0.00000000 0.50000000 0.25200500 1.0 O O15 1 0.50000000 0.00000000 0.74998700 1.0 O O16 1 0.50000000 0.00000000 0.25200500 1.0 O O17 1 0.00000000 0.50000000 0.74998700 1.0 O O18 1 0.00000000 0.50000000 0.34800600 1.0 O O19 1 0.50000000 0.00000000 0.85378100 1.0 O O20 1 0.50000000 0.00000000 0.34800600 1.0 O O21 1 0.00000000 0.50000000 0.85378100 1.0 O O22 1 0.50000000 0.00000000 0.15072400 1.0 O O23 1 0.00000000 0.50000000 0.64598300 1.0 O O24 1 0.00000000 0.50000000 0.15072400 1.0 O O25 1 0.50000000 0.00000000 0.64598300 1.0 O O26 1 0.50000000 0.00000000 0.00091500 1.0 O O27 1 0.00000000 0.50000000 0.49814000 1.0 O O28 1 0.50000000 0.00000000 0.49814000 1.0 O O29 1 0.00000000 0.50000000 0.00091500 1.0 O O30 1 0.50000000 0.50000000 0.43045600 1.0 O O31 1 0.00000000 0.00000000 0.93183700 1.0 O O32 1 0.00000000 0.00000000 0.06895100 1.0 O O33 1 0.50000000 0.50000000 0.56757900 1.0