data_Pd2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2C
_chemical_formula_sum   'Pd4 C2'
_cell_volume   76.03
_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  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.82  1.0
  Pd  Pd4  1  0.45  0.73  0.22  1.0
  Pd  Pd5  1  0.45  0.27  0.41  1.0
  C  C0  1  0.45  0.09  0.41  1.0
  C  C1  1  0.45  0.91  0.22  1.0

data_Pd2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.88
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2C
_chemical_formula_sum   'Pd4 C2'
_cell_volume   76.03
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.82  1.0
  Pd  Pd2  1  0.27  0.72  0.22  1.0
  Pd  Pd3  1  0.73  0.18  0.41  1.0
  C  C4  1  0.09  0.54  0.22  1.0
  C  C5  1  0.91  0.36  0.41  1.0

Pd Pd Pd Pd C C
Pd Pd Pd Pd C C 0 1 o o - 2 5 o o o 3 4 o o o 