data_[Ce16Ir4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8260]
_cell_length_b [4.6624]
_cell_length_c [6.8372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ir2Pd]
_chemical_formula_sum '[Ce16 Ir4 Pd2]'
_cell_volume [535.0320]
_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
[
  Ce  Ce0  4  0.0056  0.0000  0.7485  1.0
  Ce  Ce1  4  0.0904  0.5000  0.4905  1.0
  Ce  Ce2  4  0.1726  0.5000  0.0273  1.0
  Ce  Ce3  4  0.1995  0.0000  0.3118  1.0
  Ir  Ir4  4  0.1621  0.0000  0.7449  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]