data_[Ce1Si4Pd6]
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 [P-6m2]
_cell_length_a [7.1277]
_cell_length_b [7.1277]
_cell_length_c [3.9628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ce(Si2Pd3)2]
_chemical_formula_sum '[Ce1 Si4 Pd6]'
_cell_volume [174.3528]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Si  Si1  3  0.3940  0.1970  0.5000  1
  Si  Si2  1  0.3333  0.6667  0.0000  1
  Pd  Pd3  3  0.1986  0.3972  0.5000  1
  Pd  Pd4  3  0.5339  0.0678  0.0000  1
]