data_Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.89
_cell_length_c   2.71
_cell_angle_alpha   74.37
_cell_angle_beta   73.51
_cell_angle_gamma   32.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd
_chemical_formula_sum   Pd2
_cell_volume   33.13
_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  0.89  0.94  0.26  1.0
  Pd  Pd1  1  0.89  0.94  0.76  1.0

data_Pd
_symmetry_space_group_name_H-M   Cmmm
_cell_length_a   2.71
_cell_length_b   9.02
_cell_length_c   1.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   65
_chemical_formula_structural   Pd
_chemical_formula_sum   Pd2
_cell_volume   33.14
_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, -y, -z'
  6  '-x, y, z'
  7  '-x, y, -z'
  8  'x, -y, z'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, -z'
  11  '-x+1/2, -y+1/2, z'
  12  'x+1/2, y+1/2, -z'
  13  'x+1/2, -y+1/2, -z'
  14  '-x+1/2, y+1/2, z'
  15  '-x+1/2, y+1/2, -z'
  16  '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  0.5  0.5  1.0

Pd Pd
Pd 0 0 + o o 