data_[Zn2Pd16Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1043]
_cell_length_b [7.7190]
_cell_length_c [12.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zn(Pd4Pb)2]
_chemical_formula_sum '[Zn2 Pd16 Pb4]'
_cell_volume [385.2006]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  8  0.0000  0.2537  0.3382  1.0
  Pd  Pd2  4  0.0000  0.0000  0.1688  1.0
  Pd  Pd3  4  0.0000  0.2330  0.0000  1.0
  Pb  Pb4  4  0.0000  0.5000  0.1554  1.0
]