data_image0 _chemical_formula_structural PdHfSeBr9HfBr3Hf2SeBr _chemical_formula_sum "Pd1 Hf4 Se2 Br13" _cell_length_a 23.508446897933275 _cell_length_b 23.478371806452024 _cell_length_c 9.917389843493453 _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 Pd Pd1 1.0 0.5539190648351838 0.578705108654461 0.8675239696423593 1.0000 Hf Hf1 1.0 0.4606864821820115 0.42111200124362796 0.6715918631033335 1.0000 Se Se1 1.0 0.483519552086629 0.498613077454263 0.8571190025652264 1.0000 Br Br1 1.0 0.6630447677170994 0.48450605526511187 0.7275702969529466 1.0000 Br Br2 1.0 0.4893395197349616 0.3881527907041314 0.14704965079252355 1.0000 Br Br3 1.0 0.3740775180508364 0.4774341873191284 0.5605037921513492 1.0000 Br Br4 1.0 0.39300515670591724 0.3723211243791409 0.8498264805793074 1.0000 Br Br5 1.0 0.5159853010323704 0.617666369454233 0.661360143397245 1.0000 Br Br6 1.0 0.4408137544245392 0.3383125815819832 0.4948150993550809 1.0000 Br Br7 1.0 0.5513053509024451 0.3654457171247156 0.7667944883395061 1.0000 Br Br8 1.0 0.3426707284605185 0.4000400187503753 0.21695743478553986 1.0000 Br Br9 1.0 0.6234287908838537 0.6542859302582369 0.8725800369368655 1.0000 Hf Hf2 1.0 0.43505883619754765 0.43965083696775026 0.34792209774359595 1.0000 Br Br10 1.0 0.5946211850329624 0.5375872182525541 0.08428932990328176 1.0000 Br Br11 1.0 0.3228437004307712 0.5132256539711328 0.9374067852559413 1.0000 Br Br12 1.0 0.6463328011818256 0.39168299244054566 0.047446661558034744 1.0000 Hf Hf3 1.0 0.4048517916843731 0.46194156673528874 0.03973344957225344 1.0000 Hf Hf4 1.0 0.5928770533465209 0.4598071808897052 0.9012472593164093 1.0000 Se Se2 1.0 0.43237879556838055 0.5331997323451926 0.22033224100838616 1.0000 Br Br13 1.0 0.5278275372418203 0.4690812153606642 0.486528462716217 1.0000