data_[Zn8Pd4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0264]
_cell_length_b [4.8057]
_cell_length_c [5.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2Pd]
_chemical_formula_sum '[Zn8 Pd4]'
_cell_volume [177.2957]
_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  8  0.1667  0.3890  0.2472  1.0
  Pd  Pd1  4  0.0000  0.1118  0.7500  1.0
]