[CIF]
data_C2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76737960
_cell_length_b   7.76737960
_cell_length_c   7.76737960
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C2I
_chemical_formula_sum   'C16 I8'
_cell_volume   331.36649427
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  C  C0  1  1.37309170  4.11927509  4.11927509  1
  C  C1  1  4.11927509  1.37309170  4.11927509  1
  C  C2  1  1.37309170  1.37309170  1.37309170  1
  C  C3  1  4.11927509  4.11927509  1.37309170  1
  C  C4  1  2.74618340  2.74618340  4.76827325  1
  C  C5  1  0.72409354  2.74618340  2.74618340  1
  C  C6  1  2.74618340  0.72409354  2.74618340  1
  C  C7  1  2.74618340  4.76827325  2.74618340  1
  C  C8  1  4.76827325  2.74618340  2.74618340  1
  C  C9  1  2.74618340  2.74618340  0.72409354  1
  C  C10  1  5.49236679  5.49236679  8.96264372  1
  C  C11  1  2.02208986  5.49236679  5.49236679  1
  C  C12  1  5.49236679  2.02208986  5.49236679  1
  C  C13  1  5.49236679  8.96264372  5.49236679  1
  C  C14  1  8.96264372  5.49236679  5.49236679  1
  C  C15  1  5.49236679  5.49236679  2.02208986  1
  I  I16  1  6.65689256  6.65689256  4.32784102  1
  I  I17  1  4.32784102  4.32784102  4.32784102  1
  I  I18  1  6.65689256  4.32784102  6.65689256  1
  I  I19  1  4.32784102  6.65689256  6.65689256  1
  I  I20  1  7.07402442  7.07402442  9.40307595  1
  I  I21  1  9.40307595  9.40307595  9.40307595  1
  I  I22  1  7.07402442  9.40307595  7.07402442  1
  I  I23  1  9.40307595  7.07402442  7.07402442  1
[/CIF]
