data_[Al4Hg4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2292]
_cell_length_b [5.6362]
_cell_length_c [9.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlHgPd5]
_chemical_formula_sum '[Al4 Hg4 Pd20]'
_cell_volume [470.7619]
_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
[
  Al  Al0  4  0.0000  0.3594  0.2500  1
  Hg  Hg1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1477  0.4756  0.0041  1
  Pd  Pd3  8  0.2144  0.1264  0.2512  1
  Pd  Pd4  4  0.0000  0.2294  0.7500  1
]