data_[Cs8Hg8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [10.0929]
_cell_length_b [8.5558]
_cell_length_c [10.4078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Cs2Hg2Pd]
_chemical_formula_sum '[Cs8 Hg8 Pd4]'
_cell_volume [898.7490]
_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
[
  Cs  Cs0  4  0.1444  0.2500  0.0000  1
  Cs  Cs1  4  0.3824  0.7500  0.0000  1
  Hg  Hg2  4  0.1419  0.5860  0.7500  1
  Hg  Hg3  4  0.4037  0.0855  0.7500  1
  Pd  Pd4  4  0.3698  0.0949  0.2500  1
]