data_[Zn2Pd20]
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 [P2_1/m]
_cell_length_a [4.7593]
_cell_length_b [2.8009]
_cell_length_c [35.3638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnPd10]
_chemical_formula_sum '[Zn2 Pd20]'
_cell_volume [471.3852]
_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  0.0833  0.7500  0.8203  1
  Pd  Pd1  2  0.0821  0.7500  0.2399  1
  Pd  Pd2  2  0.0832  0.7500  0.4353  1
  Pd  Pd3  2  0.0833  0.7500  0.6295  1
  Pd  Pd4  2  0.2492  0.2500  0.6943  1
  Pd  Pd5  2  0.2500  0.2500  0.3057  1
  Pd  Pd6  2  0.2501  0.2500  0.5001  1
  Pd  Pd7  2  0.4165  0.7500  0.7595  1
  Pd  Pd8  2  0.4168  0.7500  0.5648  1
  Pd  Pd9  2  0.4168  0.7500  0.3706  1
  Pd  Pd10  2  0.4179  0.7500  0.1758  1
]