data_GePPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   12.28
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePPb
_chemical_formula_sum   'Ge8 P8 Pb8'
_cell_volume   594.93
_cell_formula_units_Z   8
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  0.4  0.74  0.31  1.0
  Ge  Ge1  1  0.25  0.88  0.61  1.0
  Ge  Ge2  1  0.08  0.4  0.97  1.0
  Ge  Ge3  1  0.58  0.55  0.67  1.0
  Ge  Ge4  1  0.25  0.55  0.97  1.0
  Ge  Ge5  1  0.4  0.4  0.67  1.0
  Ge  Ge6  1  0.58  0.88  0.31  1.0
  Ge  Ge7  1  0.08  0.74  0.61  1.0
  P  P8  1  0.08  0.58  0.53  1.0
  P  P9  1  0.57  0.72  0.38  1.0
  P  P10  1  0.41  0.57  0.74  1.0
  P  P11  1  0.25  0.71  0.89  1.0
  P  P12  1  0.57  0.71  0.74  1.0
  P  P13  1  0.08  0.57  0.89  1.0
  P  P14  1  0.25  0.72  0.53  1.0
  P  P15  1  0.41  0.58  0.38  1.0
  Pb  Pb16  1  0.68  0.33  0.97  1.0
  Pb  Pb17  1  0.97  0.47  0.66  1.0
  Pb  Pb18  1  0.36  0.81  0.3  1.0
  Pb  Pb19  1  0.3  0.96  0.61  1.0
  Pb  Pb20  1  0.97  0.96  0.3  1.0
  Pb  Pb21  1  0.68  0.81  0.61  1.0
  Pb  Pb22  1  0.3  0.47  0.97  1.0
  Pb  Pb23  1  0.36  0.33  0.66  1.0

data_GePPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.66
_cell_length_b   7.28
_cell_length_c   12.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GePPb
_chemical_formula_sum   'Ge8 P8 Pb8'
_cell_volume   594.93
_cell_formula_units_Z   8
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  0.25  0.33  0.76  1.0
  Ge  Ge1  2  0.25  0.97  0.1  1.0
  Ge  Ge2  2  0.42  0.33  0.9  1.0
  Ge  Ge3  2  0.42  0.97  0.24  1.0
  P  P4  2  0.25  0.89  0.93  1.0
  P  P5  2  0.25  0.26  0.92  1.0
  P  P6  2  0.42  0.26  0.07  1.0
  P  P7  2  0.42  0.89  0.08  1.0
  Pb  Pb8  2  0.14  0.03  0.83  1.0
  Pb  Pb9  2  0.14  0.66  0.31  1.0
  Pb  Pb10  2  0.47  0.97  0.31  1.0
  Pb  Pb11  2  0.47  0.34  0.83  1.0

Ge Ge Ge Ge Ge Ge Ge Ge P P P P P P P P Pb Pb Pb Pb Pb Pb Pb Pb
Ge Ge Ge Ge Ge Ge Ge Ge P P P P P P P P Pb Pb Pb Pb Pb Pb Pb Pb 0 18 o o o 0 6 o o o 0 9 o o o 0 15 o o o 1 19 o o o 1 20 - o o 2 13 o o o 2 22 o o o 2 4 o o o 2 16 - o o 3 10 o o o 3 12 o o o 3 15 o o o 3 16 o o o 4 22 o o o 4 11 o o o 4 13 o o o 5 23 o o o 5 16 o o o 6 18 o o o 6 9 o o o 6 20 o o o 7 14 o o o 7 8 o o o 7 11 o o o 7 20 - o o 8 17 - o o 8 14 o o o 8 15 o o o 9 15 o o o 10 11 o o o 10 12 o o o 11 13 o o o 11 12 o o o 12 21 o o o 14 15 o o o 16 23 o o o 16 22 o o o 16 17 o o o 18 20 - o o 19 20 - o o 20 21 o o o 