data_[Cd2In6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7401]
_cell_length_b [4.7419]
_cell_length_c [10.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd(InPd2)3]
_chemical_formula_sum '[Cd2 In6 Pd12]'
_cell_volume [345.4379]
_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
[
  Cd  Cd0  2  0.0486  0.2500  0.4139  1
  In  In1  2  0.2171  0.2500  0.0147  1
  In  In2  2  0.3590  0.7500  0.7870  1
  In  In3  2  0.4619  0.2500  0.6195  1
  Pd  Pd4  2  0.0670  0.7500  0.8792  1
  Pd  Pd5  2  0.1501  0.2500  0.7153  1
  Pd  Pd6  2  0.1558  0.7500  0.1839  1
  Pd  Pd7  2  0.2603  0.7500  0.4906  1
  Pd  Pd8  2  0.3429  0.2500  0.3151  1
  Pd  Pd9  2  0.4613  0.7500  0.0789  1
]