data_[Er20Ir8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.7184]
_cell_length_b [8.2946]
_cell_length_c [7.2048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(IrPb)2]
_chemical_formula_sum '[Er20 Ir8 Pb8]'
_cell_volume [939.3562]
_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
[
  Er  Er0  16  0.1152  0.1752  0.6530  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Ir  Ir2  8  0.0000  0.1296  0.3619  1.0
  Pb  Pb3  8  0.2156  0.0000  0.0000  1.0
]