data_image0 _chemical_formula_structural Zr4O8 _chemical_formula_sum "Zr4 O8" _cell_length_a 5.218984715614188 _cell_length_b 5.412973046113733 _cell_length_c 18.279724153526438 _cell_angle_alpha 90.0 _cell_angle_beta 90.00000000000001 _cell_angle_gamma 89.98437025400878 _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 Zr Zr1 1.0 0.9554534133629886 0.05671624830485455 0.44232606094551846 1.0000 Zr Zr2 1.0 0.45534112387198555 0.05677285795142723 0.5577010049155092 1.0000 Zr Zr3 1.0 0.29656692586944977 0.5567614092518508 0.4423737854074782 1.0000 Zr Zr4 1.0 0.796520250313094 0.5567167823235325 0.557726883861823 1.0000 O O1 1.0 0.12675668714626495 0.3062208382942212 0.3825780876814196 1.0000 O O2 1.0 0.12595699985049788 0.8070450041565372 0.5247630861075907 1.0000 O O3 1.0 0.12587077728876228 0.30709762199961893 0.5248254951456276 1.0000 O O4 1.0 0.1255134593535199 0.8062886072044352 0.38251669725831605 1.0000 O O5 1.0 0.6260635347828307 0.30655153024885495 0.47524731265291387 1.0000 O O6 1.0 0.626228446837465 0.8071093549514242 0.6175210306892049 1.0000 O O7 1.0 0.6255104848156812 0.30708550826404807 0.6175016392587314 1.0000 O O8 1.0 0.625889527165001 0.8065246453371845 0.47527032503518324 1.0000