data_DyPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   4.03
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyPPd
_chemical_formula_sum   'Dy4 P4 Pd4'
_cell_volume   215.25
_cell_formula_units_Z   4
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
  Dy  Dy0  1  0.62  0.01  0.31  1.0
  Dy  Dy1  1  0.26  0.02  0.44  1.0
  Dy  Dy2  1  0.71  0.02  0.44  1.0
  Dy  Dy3  1  0.18  0.01  0.32  1.0
  P  P4  1  0.21  0.01  0.96  1.0
  P  P5  1  0.67  0.02  0.8  1.0
  P  P6  1  0.12  0.02  0.83  1.0
  P  P7  1  0.77  0.01  0.92  1.0
  Pd  Pd8  1  0.46  0.01  0.4  1.0
  Pd  Pd9  1  0.43  0.02  0.35  1.0
  Pd  Pd10  1  0.87  0.02  0.28  1.0
  Pd  Pd11  1  0.02  0.01  0.48  1.0

data_DyPPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.03
_cell_length_b   6.89
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   DyPPd
_chemical_formula_sum   'Dy4 P4 Pd4'
_cell_volume   215.25
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Dy  Dy0  2  0.49  0.24  0.44  1.0
  Dy  Dy1  2  0.49  0.68  0.44  1.0
  P  P2  2  0.49  0.27  0.08  1.0
  P  P3  2  0.49  0.83  0.04  1.0
  Pd  Pd4  2  0.49  0.07  0.6  1.0
  Pd  Pd5  2  0.49  0.52  0.52  1.0

Dy Dy Dy Dy P P P P Pd Pd Pd Pd
Dy Dy Dy Dy P P P P Pd Pd Pd Pd 0 8 o o o 0 2 o o o 0 10 o o o 1 3 o o o 1 9 o o o 1 11 o o o 2 10 o o o 3 11 o o o 4 6 o o o 5 7 o o o 8 9 o o o 10 11 + o o 