data_Pd4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62
_cell_length_b   9.62
_cell_length_c   9.62
_cell_angle_alpha   162.07
_cell_angle_beta   162.07
_cell_angle_gamma   25.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd4C3
_chemical_formula_sum   'Pd4 C3'
_cell_volume   84.38
_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  0.0  0.0  0.15  1.0
  Pd  Pd4  1  0.0  0.0  0.62  1.0
  Pd  Pd5  1  0.0  0.0  0.72  1.0
  Pd  Pd6  1  0.0  0.0  0.05  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.0  0.7  1.0
  C  C2  1  0.0  0.0  0.07  1.0

data_Pd4C3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd4C3
_chemical_formula_sum   'Pd8 C6'
_cell_volume   168.75
_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  0.05  0.0  0.05  1.0
  Pd  Pd1  2  0.12  0.5  0.62  1.0
  Pd  Pd2  2  0.15  0.0  0.15  1.0
  Pd  Pd3  2  0.22  0.5  0.72  1.0
  C  C4  2  0.0  0.0  0.0  1.0
  C  C5  2  0.07  0.0  0.07  1.0
  C  C6  2  0.2  0.5  0.7  1.0

Pd Pd Pd Pd C C C