data_image0 _chemical_formula_structural Br3HfBrClHfBrHfBrClHfBr2SBrSnBr _chemical_formula_sum "Br10 Hf4 Cl2 S1 Sn1" _cell_length_a 25.02949726972262 _cell_length_b 22.839118061226813 _cell_length_c 6.681675727346671 _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 Br Br1 1.0 0.4421549172763309 0.4985367900118275 0.9926097993083219 1.0000 Br Br2 1.0 0.37137159548643195 0.611356313622811 0.2511386332228582 1.0000 Br Br3 1.0 0.4920132028534482 0.7019903001549697 0.235041760503077 1.0000 Hf Hf1 1.0 0.5358387999652238 0.48300241462261884 0.7636910064233202 1.0000 Br Br4 1.0 0.43997078372080556 0.34885782532893794 0.20137972478038 1.0000 Cl Cl1 1.0 0.6800196434830864 0.5165719024641019 0.19422046697758064 1.0000 Hf Hf2 1.0 0.47224774915831386 0.44484973889324386 0.36461583511351336 1.0000 Br Br5 1.0 0.37193796520754996 0.45819337474202143 0.4957225731539457 1.0000 Hf Hf3 1.0 0.4765926070502617 0.5943006683723129 0.2084570608322801 1.0000 Br Br6 1.0 0.5649811615890243 0.4335258914725531 0.1551667586975048 1.0000 Cl Cl2 1.0 0.2517268023927393 0.5556279871114064 0.5615415236958631 1.0000 Hf Hf4 1.0 0.597636649123897 0.53676262355951 0.36383624603300163 1.0000 Br Br7 1.0 0.5043141215080261 0.3783840764363215 0.6668429766509825 1.0000 Br Br8 1.0 0.6207003954256527 0.6358202593351511 0.4951105430797777 1.0000 S S1 1.0 0.49995953635771057 0.5445867280030562 0.5047910279550551 1.0000 Br Br9 1.0 0.5655375850028118 0.5843556050475007 0.984304151822371 1.0000 Sn Sn1 1.0 0.34391633810226674 0.5699119456823675 0.6361458119796378 1.0000 Br Br10 1.0 0.6362386648310422 0.47394493538825394 0.6677121862627879 1.0000