data_PdO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   3.22
_cell_angle_alpha   121.8
_cell_angle_beta   121.8
_cell_angle_gamma   86.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdO
_chemical_formula_sum   'Pd1 O1'
_cell_volume   22.99
_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  Pd1  1  0.0  0.0  0.34  1.0
  O  O0  1  0.0  0.0  0.0  1.0

data_PdO
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.22
_cell_length_b   4.43
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   PdO
_chemical_formula_sum   'Pd2 O2'
_cell_volume   46.04
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.34  1.0
  O  O1  2  0.0  0.0  0.0  1.0

Pd O
Pd O 0 1 o o o 