data_global _chemical_name_mineral 'Buckminsterfullerene' loop_ _publ_author_name 'David W I F' 'Ibberson R M' 'Matthewman J C' 'Prassides K' 'Dennis T J S' 'Hare J P' 'Kroto H W' 'Taylor R' 'Walton D R M' _journal_name_full 'Nature' _journal_volume 353 _journal_year 1991 _journal_page_first 147 _journal_page_last 149 _publ_section_title ; Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60 ; _database_code_amcsd 0014679 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'C5' _cell_length_a 14.04078 _cell_length_b 14.04078 _cell_length_c 14.04078 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2768.049 _exptl_crystal_density_diffrn 1.729 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C11 0.22940 -0.03250 0.10100 0.00380 C12 0.24670 -0.05400 0.00610 0.00380 C21 0.20810 0.06460 0.12890 0.00380 C22 0.20660 -0.14010 -0.03600 0.00380 C23 0.17100 -0.09630 0.15900 0.00380 C34 0.22360 0.11220 -0.03710 0.00380 C24 0.24390 0.01920 -0.06360 0.00380 C31 0.20530 0.13490 0.06160 0.00380 C32 0.15030 -0.20170 0.02020 0.00380 C33 0.13230 -0.17930 0.11860 0.00380