data_[Zn8Si4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2209]
_cell_length_b [12.7644]
_cell_length_c [6.4878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn2SiPd3]
_chemical_formula_sum '[Zn8 Si4 Pd12]'
_cell_volume [349.5489]
_cell_formula_units_Z [4]
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  4  0.0000  0.3325  0.5000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Si  Si3  4  0.0000  0.3420  0.0000  1.0
  Pd  Pd4  8  0.0000  0.1735  0.2222  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2446  1.0
]