data_[Mg4Zn4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [8.3801]
_cell_length_b [9.2541]
_cell_length_c [6.7795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgZnPd5]
_chemical_formula_sum '[Mg4 Zn4 Pd20]'
_cell_volume [458.6962]
_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
[
  Mg  Mg0  4  0.0000  0.1900  0.7500  1
  Zn  Zn1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  8  0.0589  0.3559  0.0916  1
  Pd  Pd3  8  0.2299  0.4205  0.8546  1
  Pd  Pd4  4  0.0000  0.0811  0.2500  1
]