data_YCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.26
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   37.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdIr2
_chemical_formula_sum   'Y1 Cd1 Ir2'
_cell_volume   75.48
_cell_formula_units_Z   1
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  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.07  0.0  0.56  1.0
  Ir  Ir1  1  0.68  0.0  0.45  1.0
  Ir  Ir2  1  0.45  0.0  0.66  1.0

data_YCdIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.94
_cell_length_c   5.26
_cell_angle_alpha   102.76
_cell_angle_beta   90.0
_cell_angle_gamma   108.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdIr2
_chemical_formula_sum   'Y1 Cd1 Ir2'
_cell_volume   75.48
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.93  0.44  1.0
  Ir  Ir2  1  0.0  0.32  0.55  1.0
  Ir  Ir3  1  0.0  0.55  0.34  1.0

Y Cd Ir Ir