data_Nd3(GeRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   7.96
_cell_length_c   13.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3(GeRu)2
_chemical_formula_sum   'Nd12 Ge8 Ru8'
_cell_volume   629.18
_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
  Nd  Nd8  1  0.73  0.76  0.36  1.0
  Nd  Nd9  1  0.01  0.78  0.36  1.0
  Nd  Nd10  1  0.74  0.88  0.44  1.0
  Nd  Nd11  1  1.0  0.9  0.44  1.0
  Nd  Nd12  1  0.73  0.76  0.53  1.0
  Nd  Nd13  1  0.01  0.78  0.53  1.0
  Nd  Nd14  1  0.73  0.18  0.25  1.0
  Nd  Nd15  1  0.01  0.2  0.25  1.0
  Nd  Nd16  1  0.74  0.07  0.33  1.0
  Nd  Nd17  1  1.0  0.09  0.33  1.0
  Nd  Nd18  1  0.73  0.18  0.42  1.0
  Nd  Nd19  1  0.01  0.2  0.42  1.0
  Ge  Ge0  1  0.7  0.97  0.0  1.0
  Ge  Ge1  1  0.04  0.99  0.0  1.0
  Ge  Ge2  1  0.65  0.08  0.44  1.0
  Ge  Ge3  1  0.09  0.1  0.44  1.0
  Ge  Ge4  1  0.7  0.97  0.89  1.0
  Ge  Ge5  1  0.04  0.99  0.89  1.0
  Ge  Ge6  1  0.65  0.86  0.33  1.0
  Ge  Ge7  1  0.09  0.88  0.33  1.0
  Ru  Ru20  1  0.91  0.71  0.25  1.0
  Ru  Ru21  1  0.83  0.73  0.25  1.0
  Ru  Ru22  1  0.91  0.71  0.64  1.0
  Ru  Ru23  1  0.83  0.73  0.64  1.0
  Ru  Ru24  1  0.91  0.23  0.14  1.0
  Ru  Ru25  1  0.83  0.25  0.14  1.0
  Ru  Ru26  1  0.91  0.23  0.53  1.0
  Ru  Ru27  1  0.83  0.25  0.53  1.0

data_Nd3(GeRu)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   7.96
_cell_length_c   13.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3(GeRu)2
_chemical_formula_sum   'Nd12 Ge8 Ru8'
_cell_volume   629.18
_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
  Nd  Nd0  1  0.01  0.2  0.25  1.0
  Nd  Nd1  1  0.01  0.2  0.42  1.0
  Nd  Nd2  1  0.01  0.78  0.36  1.0
  Nd  Nd3  1  0.01  0.78  0.53  1.0
  Nd  Nd4  1  0.73  0.18  0.25  1.0
  Nd  Nd5  1  0.73  0.18  0.42  1.0
  Nd  Nd6  1  0.73  0.76  0.36  1.0
  Nd  Nd7  1  0.73  0.76  0.53  1.0
  Nd  Nd8  1  0.74  0.07  0.33  1.0
  Nd  Nd9  1  0.74  0.88  0.44  1.0
  Nd  Nd10  1  1.0  0.09  0.33  1.0
  Nd  Nd11  1  1.0  0.9  0.44  1.0
  Ge  Ge12  1  0.04  0.99  0.0  1.0
  Ge  Ge13  1  0.04  0.99  0.89  1.0
  Ge  Ge14  1  0.09  0.1  0.44  1.0
  Ge  Ge15  1  0.09  0.88  0.33  1.0
  Ge  Ge16  1  0.65  0.08  0.44  1.0
  Ge  Ge17  1  0.65  0.86  0.33  1.0
  Ge  Ge18  1  0.7  0.97  0.0  1.0
  Ge  Ge19  1  0.7  0.97  0.89  1.0
  Ru  Ru20  1  0.83  0.25  0.14  1.0
  Ru  Ru21  1  0.83  0.25  0.53  1.0
  Ru  Ru22  1  0.83  0.73  0.25  1.0
  Ru  Ru23  1  0.83  0.73  0.64  1.0
  Ru  Ru24  1  0.91  0.23  0.14  1.0
  Ru  Ru25  1  0.91  0.23  0.53  1.0
  Ru  Ru26  1  0.91  0.71  0.25  1.0
  Ru  Ru27  1  0.91  0.71  0.64  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ge Ge Ge Ge Ge Ge Ge Ge Ru Ru Ru Ru Ru Ru Ru Ru
Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd Ge Ge Ge Ge Ge Ge Ge Ge Ru Ru Ru Ru Ru Ru Ru Ru 0 18 o o o 0 2 o o o 1 19 o o o 1 3 - o o 2 18 o o o 2 4 o o o 2 14 o + o 2 3 o o o 3 19 + o o 3 5 + o o 3 15 + + o 4 23 o o o 4 5 + o o 5 22 - o o 6 8 o o o 6 25 o o o 6 7 + o o 7 9 - o o 7 24 - o o 8 18 o - o 8 14 o o o 8 10 o o o 8 9 o o o 9 19 + - o 9 15 + o o 9 11 + o o 10 14 o o o 11 15 o o o 12 16 o o - 13 17 o o - 20 21 o o o 22 23 o o o 24 25 o o o 26 27 o o o 