data_CoC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.4
_cell_length_b   2.4
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoC3
_chemical_formula_sum   'Co1 C3'
_cell_volume   30.59
_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
  Co  Co3  1  0.0  0.0  0.65  1.0
  C  C0  1  0.2  0.2  0.41  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.2  0.2  0.89  1.0

data_CoC3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoC3
_chemical_formula_sum   'Co2 C6'
_cell_volume   61.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.65  1.0
  C  C1  2  0.0  0.0  0.0  1.0
  C  C2  2  0.2  0.0  0.41  1.0
  C  C3  2  0.2  0.0  0.89  1.0

Co C C C
Co C C C 0 1 o o o 0 3 o o o 2 3 o o - 