data_PdC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   2.53
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC3
_chemical_formula_sum   'Pd1 C3'
_cell_volume   35.32
_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  Pd3  1  0.04  0.0  0.26  1.0
  C  C0  1  0.93  0.26  0.4  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.15  0.26  0.12  1.0

data_PdC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   3.09
_cell_length_c   4.63
_cell_angle_alpha   102.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC3
_chemical_formula_sum   'Pd1 C3'
_cell_volume   35.32
_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  0.96  0.74  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.74  0.07  0.6  1.0
  C  C3  1  0.74  0.85  0.88  1.0

Pd C C C