data_[Y6Si16Ir6]
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 [Immm]
_cell_length_a [4.2051]
_cell_length_b [9.4999]
_cell_length_c [11.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3Si8Ir3]
_chemical_formula_sum '[Y6 Si16 Ir6]'
_cell_volume [462.4217]
_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  0.0000  0.0000  0.1894  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  Si  Si2  8  0.0000  0.2882  0.3726  1
  Si  Si3  8  0.0000  0.3713  0.1681  1
  Ir  Ir4  4  0.0000  0.2245  0.0000  1
  Ir  Ir5  2  0.0000  0.5000  0.5000  1
]