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 [Cmc2_1]
_cell_length_a [5.1537]
_cell_length_b [16.0612]
_cell_length_c [9.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2Hg2Pd]
_chemical_formula_sum '[Cs8 Hg8 Pd4]'
_cell_volume [822.3536]
_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  0.0000  0.0717  0.3077  1.0
  Cs  Cs1  4  0.0000  0.2284  0.6286  1.0
  Hg  Hg2  4  0.0000  0.1310  0.9509  1.0
  Hg  Hg3  4  0.0000  0.4677  0.1008  1.0
  Pd  Pd4  4  0.0000  0.4214  0.3777  1.0
]