data_[Ce2Sb2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3114]
_cell_length_b [5.4621]
_cell_length_c [7.3739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSbPd6]
_chemical_formula_sum '[Ce2 Sb2 Pd12]'
_cell_volume [314.0350]
_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  2  0.0000  0.5000  0.5000  1
  Sb  Sb1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1898  0.2561  0.3000  1
  Pd  Pd3  4  0.1543  0.5000  0.9453  1
]