data_CoC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoC3
_chemical_formula_sum   'Co2 C6'
_cell_volume   71.09
_cell_formula_units_Z   2
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
  Co  Co6  1  0.96  0.13  0.01  1.0
  Co  Co7  1  0.0  0.26  0.34  1.0
  C  C0  1  0.0  0.83  0.01  1.0
  C  C1  1  0.76  0.98  0.01  1.0
  C  C2  1  0.24  0.98  0.01  1.0
  C  C3  1  0.72  0.41  0.34  1.0
  C  C4  1  0.2  0.41  0.34  1.0
  C  C5  1  0.96  0.57  0.34  1.0

data_CoC3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoC3
_chemical_formula_sum   'Co2 C6'
_cell_volume   71.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Co  Co0  2  0.48  0.93  0.84  1.0
  C  C1  2  0.24  0.22  0.16  1.0
  C  C2  2  0.28  0.78  0.84  1.0
  C  C3  2  0.48  0.37  0.16  1.0

Co Co C C C C C C
Co Co C C C C C C 0 3 o - o 1 6 o o o 2 4 o o o 5 7 o o o 