# generated using pymatgen data_Sm3SiI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.67077874 _cell_length_b 10.67077957 _cell_length_c 10.67077893 _cell_angle_alpha 109.47121943 _cell_angle_beta 109.47122100 _cell_angle_gamma 109.47122138 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3SiI3 _chemical_formula_sum 'Sm12 Si4 I12' _cell_volume 935.33351379 _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 0.46484084 0.48242042 0.23242042 1.0 Sm Sm1 1 0.75000000 0.23242042 0.26757958 1.0 Sm Sm2 1 0.75000000 0.01757958 0.48242042 1.0 Sm Sm3 1 0.23242042 0.46484084 0.48242042 1.0 Sm Sm4 1 0.26757958 0.75000000 0.23242042 1.0 Sm Sm5 1 0.03515916 0.26757958 0.01757958 1.0 Sm Sm6 1 0.01757958 0.03515916 0.26757958 1.0 Sm Sm7 1 0.48242042 0.75000000 0.01757958 1.0 Sm Sm8 1 0.48242042 0.23242042 0.46484084 1.0 Sm Sm9 1 0.01757958 0.48242042 0.75000000 1.0 Sm Sm10 1 0.26757958 0.01757958 0.03515916 1.0 Sm Sm11 1 0.23242042 0.26757958 0.75000000 1.0 Si Si12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.50000000 0.00000000 0.25000000 1.0 Si Si14 1 0.00000000 0.25000000 0.50000000 1.0 Si Si15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.75718128 0.74281872 1.0 I I17 1 0.51436157 0.50718128 0.75718128 1.0 I I18 1 0.98563843 0.74281872 0.99281872 1.0 I I19 1 0.74281872 0.25000000 0.75718128 1.0 I I20 1 0.99281872 0.98563843 0.74281872 1.0 I I21 1 0.25000000 0.99281872 0.50718128 1.0 I I22 1 0.75718128 0.51436157 0.50718128 1.0 I I23 1 0.50718128 0.25000000 0.99281872 1.0 I I24 1 0.75718128 0.74281872 0.25000000 1.0 I I25 1 0.74281872 0.99281872 0.98563843 1.0 I I26 1 0.99281872 0.50718128 0.25000000 1.0 I I27 1 0.50718128 0.75718128 0.51436157 1.0