data_PdC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   2.52
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd1 C2'
_cell_volume   39.41
_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
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.46  0.57  1.0
  C  C1  1  0.26  0.73  0.57  1.0

data_PdC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   2.52
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd1 C2'
_cell_volume   39.41
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.46  0.57  1.0
  C  C2  1  0.26  0.73  0.57  1.0

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