data_image0 _chemical_formula_structural IBrSiIBr2SIHfBrTiBrIBrSHfSSn _chemical_formula_sum "I4 Br6 Si1 S3 Hf2 Ti1 Sn1" _cell_length_a 24.21126273164841 _cell_length_b 22.487520498635114 _cell_length_c 9.03880472460044 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 I I1 1.0 0.5761823130957632 0.6540478538869775 0.9695733702831463 1.0000 Br Br1 1.0 0.39769857406167486 0.4273245987229421 0.1818555520212572 1.0000 Si Si1 1.0 0.5007749124411078 0.5816120932075985 0.9717199367623754 1.0000 I I2 1.0 0.307295990897 0.5368272506206592 0.9087710038441043 1.0000 Br Br2 1.0 0.5011673878210092 0.4334051761097054 0.47473499055787 1.0000 Br Br3 1.0 0.37647220584323937 0.5530970349216217 0.44907821031029876 1.0000 S S1 1.0 0.43024262778095335 0.6011232017882316 0.10627234441531569 1.0000 I I3 1.0 0.6194016853561872 0.49510543945744706 0.7205448758415212 1.0000 Hf Hf1 1.0 0.4525518306042707 0.5189658534030169 0.28798744580984975 1.0000 Br Br4 1.0 0.5365997205790898 0.5864304490435092 0.38480587769403524 1.0000 Ti Ti1 1.0 0.40928556392059173 0.5032127771110437 0.9655271670200556 1.0000 Br Br5 1.0 0.5435073467514093 0.3529362402596779 0.8676170886733565 1.0000 I I4 1.0 0.7068893453577285 0.5979068980378633 0.4035483077636028 1.0000 Br Br6 1.0 0.40423528371926964 0.4132218387590562 0.7743909295317393 1.0000 S S2 1.0 0.5190963384924525 0.4917289665651958 0.048274576979457515 1.0000 Hf Hf2 1.0 0.5065339976243242 0.45015148463635757 0.7755140078655831 1.0000 S S3 1.0 0.46560402134446544 0.5576373248509868 0.7639027260465273 1.0000 Sn Sn1 1.0 0.6289053771618944 0.5078594491210623 0.39163222632976946 1.0000