data_[Ce4Si4Pd6]
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 [10.4301]
_cell_length_b [4.0268]
_cell_length_c [6.9785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Si2Pd3]
_chemical_formula_sum '[Ce4 Si4 Pd6]'
_cell_volume [267.0450]
_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  0.1384  0.0000  0.7710  1.0
  Si  Si1  4  0.1474  0.0000  0.2192  1.0
  Pd  Pd2  4  0.1275  0.5000  0.4372  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]