data_CoC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoC5
_chemical_formula_sum   'Co1 C5'
_cell_volume   58.27
_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  Co5  1  0.0  0.0  0.0  1.0
  C  C0  1  0.6  0.92  0.0  1.0
  C  C1  1  0.0  0.85  0.0  1.0
  C  C2  1  0.2  0.38  0.29  1.0
  C  C3  1  0.8  0.38  0.29  1.0
  C  C4  1  0.6  0.0  0.29  1.0

data_CoC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoC5
_chemical_formula_sum   'Co1 C5'
_cell_volume   58.27
_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  Co0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.85  -0.0  1.0
  C  C2  1  0.2  0.38  0.29  1.0
  C  C3  1  0.6  0.0  0.29  1.0
  C  C4  1  0.6  0.92  -0.0  1.0
  C  C5  1  0.8  0.38  0.29  1.0

Co C C C C C