data_YGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   4.31
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGeIr
_chemical_formula_sum   'Y4 Ge4 Ir4'
_cell_volume   227.45
_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
  Y  Y0  1  0.05  0.08  0.31  1.0
  Y  Y1  1  0.49  0.08  0.22  1.0
  Y  Y2  1  0.82  0.23  0.38  1.0
  Y  Y3  1  0.39  0.23  0.47  1.0
  Ge  Ge4  1  0.0  0.08  0.98  1.0
  Ge  Ge5  1  0.44  0.08  0.86  1.0
  Ge  Ge6  1  0.87  0.23  0.7  1.0
  Ge  Ge7  1  0.43  0.23  0.82  1.0
  Ir  Ir8  1  0.1  0.08  0.49  1.0
  Ir  Ir9  1  0.54  0.08  0.35  1.0
  Ir  Ir10  1  0.77  0.23  0.19  1.0
  Ir  Ir11  1  0.34  0.23  0.33  1.0

data_YGeIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.31
_cell_length_b   6.87
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YGeIr
_chemical_formula_sum   'Y4 Ge4 Ir4'
_cell_volume   227.45
_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
  Y  Y0  2  0.42  0.11  0.47  1.0
  Y  Y1  2  0.42  0.55  0.38  1.0
  Ge  Ge2  2  0.42  0.07  0.14  1.0
  Ge  Ge3  2  0.42  0.5  0.02  1.0
  Ir  Ir4  2  0.42  0.16  0.65  1.0
  Ir  Ir5  2  0.42  0.6  0.51  1.0

Y Y Y Y Ge Ge Ge Ge Ir Ir Ir Ir