data_CuC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC5
_chemical_formula_sum   'Cu1 C5'
_cell_volume   55.2
_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
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  C  C0  1  0.63  0.94  0.0  1.0
  C  C1  1  0.0  0.89  0.0  1.0
  C  C2  1  0.18  0.41  0.98  1.0
  C  C3  1  0.82  0.41  0.98  1.0
  C  C4  1  0.63  0.0  0.98  1.0

data_CuC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC5
_chemical_formula_sum   'Cu1 C5'
_cell_volume   55.2
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  C  C1  1  -0.0  0.89  -0.0  1.0
  C  C2  1  0.18  0.41  0.98  1.0
  C  C3  1  0.63  0.0  0.98  1.0
  C  C4  1  0.63  0.94  -0.0  1.0
  C  C5  1  0.82  0.41  0.98  1.0

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