data_[Zn2Fe4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9058]
_cell_length_b [3.9659]
_cell_length_c [6.1539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(FePd4)2]
_chemical_formula_sum '[Zn2 Fe4 Pd16]'
_cell_volume [326.9859]
_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  0.0000  1.0
  Fe  Fe1  4  0.2240  0.0000  0.6490  1.0
  Pd  Pd2  4  0.0436  0.0000  0.7331  1.0
  Pd  Pd3  4  0.0989  0.5000  0.4617  1.0
  Pd  Pd4  4  0.1458  0.0000  0.2018  1.0
  Pd  Pd5  4  0.1796  0.5000  0.9176  1.0
]