data_PdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   3.11
_cell_angle_alpha   90.77
_cell_angle_beta   90.77
_cell_angle_gamma   33.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC
_chemical_formula_sum   'Pd2 C2'
_cell_volume   46.6
_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  0.73  0.0  0.36  1.0
  Pd  Pd3  1  0.25  0.0  0.75  1.0
  C  C0  1  0.57  0.0  0.49  1.0
  C  C1  1  0.41  0.0  0.62  1.0

data_PdC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.99
_cell_length_b   3.11
_cell_length_c   5.23
_cell_angle_alpha   90.77
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PdC
_chemical_formula_sum   'Pd2 C2'
_cell_volume   46.6
_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
  Pd  Pd0  2  0.0  0.31  0.24  1.0
  C  C1  2  0.0  0.44  0.08  1.0

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