data_[Y16Si24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.1215]
_cell_length_b [8.1667]
_cell_length_c [14.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Y2Si3Ir]
_chemical_formula_sum '[Y16 Si24 Ir8]'
_cell_volume [936.9949]
_cell_formula_units_Z [8]
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  8  0.2485  0.0000  0.5000  1.0
  Y  Y1  8  0.2500  0.2500  0.2500  1.0
  Si  Si2  16  0.0000  0.2498  0.0837  1.0
  Si  Si3  8  0.0000  0.0000  0.1671  1.0
  Ir  Ir4  8  0.0000  0.0000  0.3336  1.0
]