data_[Zn26Pd4]
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/m]
_cell_length_a [6.5846]
_cell_length_b [8.1691]
_cell_length_c [8.9712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn13Pd2]
_chemical_formula_sum '[Zn26 Pd4]'
_cell_volume [449.8673]
_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  8  0.0728  0.2867  0.3800  1.0
  Zn  Zn1  8  0.2000  0.2632  0.1301  1.0
  Zn  Zn2  4  0.0697  0.5000  0.8765  1.0
  Zn  Zn3  4  0.1438  0.0000  0.6481  1.0
  Zn  Zn4  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd5  4  0.2411  0.5000  0.6388  1.0
]