data_CdC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   162.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdC2
_chemical_formula_sum   'Cd2 C4'
_cell_volume   122.77
_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
  Cd  Cd4  1  0.31  0.4  0.13  1.0
  Cd  Cd5  1  0.31  0.6  0.38  1.0
  C  C0  1  0.31  0.73  0.13  1.0
  C  C1  1  0.31  0.26  0.13  1.0
  C  C2  1  0.31  0.27  0.38  1.0
  C  C3  1  0.31  0.74  0.38  1.0

data_CdC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.61
_cell_length_b   5.51
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdC2
_chemical_formula_sum   'Cd2 C4'
_cell_volume   122.77
_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
  Cd  Cd0  2  0.4  0.62  0.9  1.0
  C  C1  2  0.26  0.62  0.76  1.0
  C  C2  2  0.27  0.38  0.77  1.0

Cd Cd C C C C
Cd Cd C C C C 0 3 o o o 1 5 o o o 2 5 o o o 3 4 o o o 