data_Nd2Ge5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   104.99
_cell_angle_beta   90.02
_cell_angle_gamma   137.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ge5Ir3
_chemical_formula_sum   'Nd4 Ge10 Ir6'
_cell_volume   378.89
_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
  Nd  Nd0  1  0.35  0.61  0.05  1.0
  Nd  Nd1  1  0.82  0.39  0.0  1.0
  Nd  Nd2  1  0.99  0.61  0.0  1.0
  Nd  Nd3  1  0.18  0.39  0.05  1.0
  Ge  Ge4  1  0.0  0.0  0.58  1.0
  Ge  Ge5  1  0.0  0.0  0.53  1.0
  Ge  Ge6  1  0.0  0.69  0.53  1.0
  Ge  Ge7  1  0.0  0.32  0.53  1.0
  Ge  Ge8  1  0.17  0.32  0.53  1.0
  Ge  Ge9  1  0.17  0.68  0.53  1.0
  Ge  Ge10  1  0.66  0.82  0.05  1.0
  Ge  Ge11  1  0.5  0.18  0.0  1.0
  Ge  Ge12  1  0.5  0.82  0.05  1.0
  Ge  Ge13  1  0.66  0.18  0.0  1.0
  Ir  Ir14  1  0.0  0.0  0.53  1.0
  Ir  Ir15  1  0.17  0.0  0.53  1.0
  Ir  Ir16  1  0.03  0.3  0.05  1.0
  Ir  Ir17  1  0.13  0.7  0.0  1.0
  Ir  Ir18  1  0.3  0.3  0.0  1.0
  Ir  Ir19  1  0.87  0.7  0.05  1.0

data_Nd2Ge5Ir3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   8.49
_cell_length_c   8.49
_cell_angle_alpha   75.01
_cell_angle_beta   68.91
_cell_angle_gamma   68.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2Ge5Ir3
_chemical_formula_sum   'Nd4 Ge10 Ir6'
_cell_volume   378.89
_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
  Nd  Nd0  1  0.39  0.62  -0.0  1.0
  Nd  Nd1  1  0.44  0.26  0.95  1.0
  Nd  Nd2  1  0.61  0.57  0.0  1.0
  Nd  Nd3  1  0.66  0.21  0.95  1.0
  Ge  Ge4  1  0.21  0.32  0.47  1.0
  Ge  Ge5  1  0.21  0.15  0.47  1.0
  Ge  Ge6  1  0.23  0.16  0.95  1.0
  Ge  Ge7  1  0.24  0.31  0.95  1.0
  Ge  Ge8  1  0.53  0.0  0.47  1.0
  Ge  Ge9  1  0.58  0.0  0.42  1.0
  Ge  Ge10  1  0.82  0.52  0.0  1.0
  Ge  Ge11  1  0.82  0.68  0.0  1.0
  Ge  Ge12  1  0.84  0.69  0.47  1.0
  Ge  Ge13  1  0.84  0.52  0.47  1.0
  Ir  Ir14  1  0.3  0.57  -0.0  1.0
  Ir  Ir15  1  0.35  0.84  0.95  1.0
  Ir  Ir16  1  0.53  0.0  0.47  1.0
  Ir  Ir17  1  0.53  0.83  0.47  1.0
  Ir  Ir18  1  0.7  1.0  0.0  1.0
  Ir  Ir19  1  0.76  0.26  0.95  1.0

Nd Nd Nd Nd Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ir Ir Ir Ir Ir Ir 0 3 o o o 0 12 o o o 1 13 o o o 1 2 o o o 2 17 + o o 2 19 o o o 3 16 o o o 3 18 o o o 4 14 o o o 4 5 o o o 4 15 o o o 5 14 o o o 5 15 o o o 6 9 o o o 7 8 o o o 10 12 o o o 11 13 o o o 14 15 o o o 