data_YIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   127.79
_cell_angle_beta   127.79
_cell_angle_gamma   76.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Ir
_chemical_formula_sum   'Y1 In2 Ir1'
_cell_volume   85.28
_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
  In  In0  1  0.29  0.0  0.04  1.0
  In  In1  1  0.0  0.0  0.07  1.0
  Ir  Ir2  1  0.0  0.29  0.04  1.0

data_YIn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.2
_cell_angle_alpha   116.11
_cell_angle_beta   116.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Ir
_chemical_formula_sum   'Y1 In2 Ir1'
_cell_volume   85.28
_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
  In  In1  1  0.04  0.75  0.75  1.0
  In  In2  1  0.07  0.07  0.07  1.0
  Ir  Ir3  1  0.75  0.04  0.75  1.0

Y In In Ir