data_[Ce8Si8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5436]
_cell_length_b [4.3182]
_cell_length_c [10.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Si2Pd]
_chemical_formula_sum '[Ce8 Si8 Pd4]'
_cell_volume [416.0584]
_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
[
  Ce  Ce0  4  0.0046  0.0000  0.3233  1.0
  Ce  Ce1  4  0.1907  0.0000  0.1065  1.0
  Si  Si2  4  0.0127  0.5000  0.8875  1.0
  Si  Si3  4  0.1331  0.5000  0.5626  1.0
  Pd  Pd4  4  0.2253  0.5000  0.3548  1.0
]