data_GePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   3.91
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePd2
_chemical_formula_sum   'Ge4 Pd8'
_cell_volume   187.72
_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
  Ge  Ge0  1  0.54  0.98  0.67  1.0
  Ge  Ge1  1  0.61  0.93  0.86  1.0
  Ge  Ge2  1  0.69  0.98  0.75  1.0
  Ge  Ge3  1  0.76  0.93  0.94  1.0
  Pd  Pd4  1  0.22  0.98  0.28  1.0
  Pd  Pd5  1  0.91  0.98  0.3  1.0
  Pd  Pd6  1  0.24  0.93  0.5  1.0
  Pd  Pd7  1  0.93  0.93  0.09  1.0
  Pd  Pd8  1  0.37  0.98  0.52  1.0
  Pd  Pd9  1  0.06  0.98  0.12  1.0
  Pd  Pd10  1  0.4  0.93  0.31  1.0
  Pd  Pd11  1  0.08  0.93  0.33  1.0

data_GePd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   6.31
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GePd2
_chemical_formula_sum   'Ge4 Pd8'
_cell_volume   187.72
_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
  Ge  Ge0  2  0.02  0.89  0.86  1.0
  Ge  Ge1  2  0.02  0.04  0.94  1.0
  Pd  Pd2  2  0.02  0.26  0.5  1.0
  Pd  Pd3  2  0.02  0.57  0.48  1.0
  Pd  Pd4  2  0.02  0.41  0.31  1.0
  Pd  Pd5  2  0.02  0.72  0.72  1.0

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