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