data_CI5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CI5
_chemical_formula_sum   'C1 I5'
_cell_volume   241.63
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  I  I1  1  0.36  0.0  0.57  1.0
  I  I2  1  0.04  0.8  0.57  1.0
  I  I3  1  0.32  0.37  0.57  1.0
  I  I4  1  0.72  0.72  0.0  1.0
  I  I5  1  0.0  0.45  0.0  1.0

data_CI5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CI5
_chemical_formula_sum   'C1 I5'
_cell_volume   241.63
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  I  I1  1  0.0  0.72  0.72  1.0
  I  I2  1  0.0  0.0  0.45  1.0
  I  I3  1  0.57  0.04  0.8  1.0
  I  I4  1  0.57  0.32  0.37  1.0
  I  I5  1  0.57  0.36  0.0  1.0

C I I I I I
C I I I I I 0 4 - - o 0 2 o - - 0 2 o - o 0 3 o o o 0 3 o o - 1 2 o - o 1 1 o o + 1 3 o o o 2 4 - o + 2 4 - o o 2 2 o o + 2 5 o o + 2 5 o o o 3 5 o o o 3 5 o o + 3 4 o o o 3 4 o o + 3 3 o o + 4 4 o o + 5 5 o o + 