data_Ce2Ge5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   104.98
_cell_angle_beta   90.15
_cell_angle_gamma   137.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Ge5Ir3
_chemical_formula_sum   'Ce4 Ge10 Ir6'
_cell_volume   374.88
_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
  Ce  Ce0  1  0.34  0.61  0.05  1.0
  Ce  Ce1  1  0.81  0.36  0.0  1.0
  Ce  Ce2  1  0.95  0.61  0.0  1.0
  Ce  Ce3  1  0.19  0.36  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  0.62  0.53  1.0
  Ge  Ge7  1  0.0  0.31  0.53  1.0
  Ge  Ge8  1  0.14  0.35  0.53  1.0
  Ge  Ge9  1  0.14  0.65  0.53  1.0
  Ge  Ge10  1  0.66  0.79  0.05  1.0
  Ge  Ge11  1  0.49  0.18  0.0  1.0
  Ge  Ge12  1  0.49  0.82  0.05  1.0
  Ge  Ge13  1  0.66  0.14  0.0  1.0
  Ir  Ir14  1  0.0  0.97  0.53  1.0
  Ir  Ir15  1  0.14  0.0  0.53  1.0
  Ir  Ir16  1  0.02  0.28  0.05  1.0
  Ir  Ir17  1  0.13  0.69  0.0  1.0
  Ir  Ir18  1  0.27  0.28  0.0  1.0
  Ir  Ir19  1  0.87  0.69  0.05  1.0

data_Ce2Ge5Ir3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   75.02
_cell_angle_beta   68.82
_cell_angle_gamma   68.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2Ge5Ir3
_chemical_formula_sum   'Ce4 Ge10 Ir6'
_cell_volume   374.88
_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
  Ce  Ce0  1  0.3  0.05  0.84  1.0
  Ce  Ce1  1  0.36  -0.0  0.45  1.0
  Ce  Ce2  1  0.56  0.05  0.73  1.0
  Ce  Ce3  1  0.61  -0.0  0.34  1.0
  Ge  Ge4  1  0.09  0.53  0.38  1.0
  Ge  Ge5  1  0.13  0.53  0.49  1.0
  Ge  Ge6  1  0.14  -0.0  0.51  1.0
  Ge  Ge7  1  0.18  -0.0  0.31  1.0
  Ge  Ge8  1  0.42  0.58  0.0  1.0
  Ge  Ge9  1  0.47  0.53  0.0  1.0
  Ge  Ge10  1  0.74  0.05  0.87  1.0
  Ge  Ge11  1  0.77  0.05  0.66  1.0
  Ge  Ge12  1  0.79  0.53  0.69  1.0
  Ge  Ge13  1  0.82  0.53  0.8  1.0
  Ir  Ir14  1  0.22  0.05  0.74  1.0
  Ir  Ir15  1  0.28  -0.0  1.0  1.0
  Ir  Ir16  1  0.44  0.53  0.03  1.0
  Ir  Ir17  1  0.47  0.53  0.14  1.0
  Ir  Ir18  1  0.64  0.05  0.18  1.0
  Ir  Ir19  1  0.69  -0.0  0.44  1.0

Ce Ce Ce Ce Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ir Ir Ir Ir Ir Ir
Ce Ce Ce Ce Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ir Ir Ir Ir Ir Ir 0 12 o o o 0 10 o o o 1 13 o o o 1 11 o o o 2 19 o o o 2 17 + o o 3 16 o o o 3 18 o o o 4 14 o - o 4 5 o o o 5 14 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 