data_[Y20Cd8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1947]
_cell_length_b [7.5190]
_cell_length_c [7.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y5(CdIr)2]
_chemical_formula_sum '[Y20 Cd8 Ir8]'
_cell_volume [928.5840]
_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  16  0.1202  0.1773  0.3236  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  8  0.2187  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.1262  0.6285  1
]