data_Pd5C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd5C4
_chemical_formula_sum   'Pd10 C8'
_cell_volume   210.71
_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  Pd8  1  0.26  0.92  0.88  1.0
  Pd  Pd9  1  0.6  0.0  0.88  1.0
  Pd  Pd10  1  0.2  0.38  0.88  1.0
  Pd  Pd11  1  0.8  0.38  0.63  1.0
  Pd  Pd12  1  0.52  0.0  0.63  1.0
  Pd  Pd13  1  0.74  0.92  0.63  1.0
  Pd  Pd14  1  0.0  0.53  0.25  1.0
  Pd  Pd15  1  0.06  0.77  0.0  1.0
  Pd  Pd16  1  0.06  0.77  0.25  1.0
  Pd  Pd17  1  0.0  0.53  0.0  1.0
  C  C0  1  0.0  0.0  0.25  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.25  0.16  0.88  1.0
  C  C3  1  0.62  0.0  0.88  1.0
  C  C4  1  0.19  0.13  0.88  1.0
  C  C5  1  0.81  0.13  0.63  1.0
  C  C6  1  0.5  0.0  0.63  1.0
  C  C7  1  0.75  0.16  0.63  1.0

data_Pd5C4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd5C4
_chemical_formula_sum   'Pd10 C8'
_cell_volume   210.71
_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  Pd0  1  0.0  0.53  0.0  1.0
  Pd  Pd1  1  0.0  0.53  0.25  1.0
  Pd  Pd2  1  0.06  0.77  0.0  1.0
  Pd  Pd3  1  0.06  0.77  0.25  1.0
  Pd  Pd4  1  0.2  0.38  0.88  1.0
  Pd  Pd5  1  0.26  0.92  0.88  1.0
  Pd  Pd6  1  0.52  0.0  0.63  1.0
  Pd  Pd7  1  0.6  0.0  0.88  1.0
  Pd  Pd8  1  0.74  0.92  0.63  1.0
  Pd  Pd9  1  0.8  0.38  0.63  1.0
  C  C10  1  0.0  0.0  0.0  1.0
  C  C11  1  0.0  0.0  0.25  1.0
  C  C12  1  0.19  0.13  0.88  1.0
  C  C13  1  0.25  0.16  0.88  1.0
  C  C14  1  0.5  0.0  0.63  1.0
  C  C15  1  0.62  0.0  0.88  1.0
  C  C16  1  0.75  0.16  0.63  1.0
  C  C17  1  0.81  0.13  0.63  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd C C C C C C C C