data_[Ba6Zn16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4752]
_cell_length_b [11.0160]
_cell_length_c [13.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Zn8Pd3]
_chemical_formula_sum '[Ba6 Zn16 Pd6]'
_cell_volume [640.8856]
_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  0.1820  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2881  0.3933  1.0
  Zn  Zn3  8  0.0000  0.3124  0.1864  1.0
  Pd  Pd4  4  0.0000  0.2214  0.0000  1.0
  Pd  Pd5  2  0.0000  0.5000  0.5000  1.0
]