data_[Y20Ir8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6862]
_cell_length_b [8.4191]
_cell_length_c [7.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y5(IrPb)2]
_chemical_formula_sum '[Y20 Ir8 Pb8]'
_cell_volume [960.6312]
_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  0.1180  0.1787  0.3466  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Ir  Ir2  8  0.0000  0.1252  0.6349  1
  Pb  Pb3  8  0.2148  0.0000  0.0000  1
]