data_PdC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.51
_cell_angle_alpha   102.14
_cell_angle_beta   102.14
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   77.85
_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
  Pd  Pd4  1  0.92  0.0  0.65  1.0
  Pd  Pd5  1  0.98  0.0  0.04  1.0
  C  C0  1  0.66  0.0  0.64  1.0
  C  C1  1  0.07  0.0  0.06  1.0
  C  C2  1  0.06  0.0  0.66  1.0
  C  C3  1  0.06  0.0  0.33  1.0

data_PdC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.45
_cell_angle_alpha   91.42
_cell_angle_beta   100.17
_cell_angle_gamma   118.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   77.85
_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
  Pd  Pd0  1  0.27  0.0  0.35  1.0
  Pd  Pd1  1  0.94  0.0  0.96  1.0
  C  C2  1  0.0  0.0  0.94  1.0
  C  C3  1  0.03  0.0  0.36  1.0
  C  C4  1  0.4  0.0  0.34  1.0
  C  C5  1  0.74  0.0  0.67  1.0

Pd Pd C C C C
Pd Pd C C C C 0 4 + o o 0 2 o o o 1 3 + o o 1 5 + o o 3 5 o o o 