data_C60
_chemical_name_systematic          Carbon
_chemical_formula_structural       C60
_chemical_formula_sum              C60
_cell_length_a                     14.04078(10)
_cell_length_b                     14.04078(10)
_cell_length_c                     14.04078(10)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       2768.05
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P a -3'
_symmetry_Int_Tables_number        205
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z+1/2, x+1/2, y'
  2	'z+1/2, x, -y+1/2'
  3	'z, -x+1/2, y+1/2'
  4	'-z, -x, -y'
  5	'y, -z+1/2, x+1/2'
  6	'-y+1/2, z+1/2, x'
  7	'y+1/2, z, -x+1/2'
  8	'-y, -z, -x'
  9	'x+1/2, y, -z+1/2'
 10	'x, -y+1/2, z+1/2'
 11	'-x+1/2, y+1/2, z'
 12	'-x, -y, -z'
 13	'z+1/2, -x+1/2, -y'
 14	'-z+1/2, -x, y+1/2'
 15	'-z, x+1/2, -y+1/2'
 16	'z, x, y'
 17	'-y, z+1/2, -x+1/2'
 18	'y+1/2, -z+1/2, -x'
 19	'-y+1/2, -z, x+1/2'
 20	'y, z, x'
 21	'-x+1/2, -y, z+1/2'
 22	'-x, y+1/2, -z+1/2'
 23	'x+1/2, -y+1/2, -z'
 24	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C0+	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
C1 C0+ 24 d 0.2294(3) -.0325(2) 0.1010(3) 1. 0 0.3 
C2 C0+ 24 d 0.2467(3) -.0540(2) 0.0061(2) 1. 0 0.3 
C3 C0+ 24 d 0.2061(3) 0.0646(2) 0.1289(3) 1. 0 0.3 
C4 C0+ 24 d 0.2066(3) -.1401(2) -.0360(2) 1. 0 0.3 
C5 C0+ 24 d 0.1710(2) -.0963(2) 0.1590(3) 1. 0 0.3 
C6 C0+ 24 d 0.2236(3) 0.1122(3) -.0371(2) 1. 0 0.3 
C7 C0+ 24 d 0.2439(3) 0.0192(3) -.0636(2) 1. 0 0.3 
C8 C0+ 24 d 0.2053(3) 0.1349(3) 0.0616(2) 1. 0 0.3 
C9 C0+ 24 d 0.1503(3) -.2017(3) 0.0202(2) 1. 0 0.3 
C10 C0+ 24 d 0.1323(3) -.1793(2) 0.1186(2) 1. 0 0.3 


