data_[Ba6Cd6Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6298]
_cell_length_b [10.5441]
_cell_length_c [13.9329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Cd3Pd8]
_chemical_formula_sum '[Ba6 Cd6 Pd16]'
_cell_volume [680.1649]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.2110  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  4  0.0000  0.2280  0.0000  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  8  0.0000  0.2772  0.3939  1
  Pd  Pd5  8  0.0000  0.2953  0.1990  1
]