data_[Y12In6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.0759]
_cell_length_b [11.7061]
_cell_length_c [5.1935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Y6In3Ir]
_chemical_formula_sum '[Y12 In6 Ir2]'
_cell_volume [551.7751]
_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
[
  Y  Y0  4  0.0154  0.7639  0.0000  1.0
  Y  Y1  4  0.1561  0.9186  0.5000  1.0
  Y  Y2  4  0.1917  0.5885  0.5000  1.0
  In  In3  4  0.1506  0.2790  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  2  0.0000  0.0000  0.0000  1.0
]