data_Pd3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   24.46
_cell_angle_beta   24.46
_cell_angle_gamma   24.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3C2
_chemical_formula_sum   'Pd3 C2'
_cell_volume   61.19
_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
  Pd  Pd3  1  0.0  0.0  0.76  1.0
  Pd  Pd4  1  0.0  0.0  0.78  1.0
  C  C0  1  0.0  0.0  0.95  1.0
  C  C1  1  0.0  0.0  0.59  1.0

data_Pd3C2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.14
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd3C2
_chemical_formula_sum   'Pd6 C4'
_cell_volume   122.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.22  1.0
  Pd  Pd2  2  0.0  0.0  0.24  1.0
  C  C3  2  0.0  0.0  0.05  1.0
  C  C4  2  0.0  0.0  0.41  1.0

Pd Pd Pd C C