data_PdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC
_chemical_formula_sum   'Pd2 C2'
_cell_volume   47.28
_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  Pd2  1  0.27  0.31  0.99  1.0
  Pd  Pd3  1  0.0  0.62  0.66  1.0
  C  C0  1  0.0  0.0  0.33  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_PdC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC
_chemical_formula_sum   'Pd2 C2'
_cell_volume   47.28
_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  0.66  0.0  0.62  1.0
  Pd  Pd1  1  0.99  0.27  0.31  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.33  0.0  0.0  1.0

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