data_image0 _chemical_formula_structural PbBr3Cs _chemical_formula_sum "Pb1 Br3 Cs1" _cell_length_a 5.893202920411759 _cell_length_b 5.893202920411758 _cell_length_c 5.893202920411759 _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 Pb Pb1 1.0 0.0025394587824461344 0.0025394587824461314 0.002539458782446142 1.0000 Br Br1 1.0 0.5027835834124028 3.5173753173112586e-05 3.51737531731055e-05 1.0000 Br Br2 1.0 3.517375317310376e-05 0.5027835834124024 3.517375317310565e-05 1.0000 Br Br3 1.0 3.517375317311147e-05 3.5173753173111244e-05 0.5027835834124023 1.0000 Cs Cs1 1.0 0.5056689097612973 0.505668909761297 0.5056689097612969 1.0000