data_[Cs6Hg6Pd6]
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 [R3m]
_cell_length_a [4.7926]
_cell_length_b [4.7926]
_cell_length_c [37.3178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsHgPd]
_chemical_formula_sum '[Cs6 Hg6 Pd6]'
_cell_volume [742.3130]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.7596  1.0
  Cs  Cs1  3  0.0000  0.0000  0.9653  1.0
  Hg  Hg2  3  0.0000  0.0000  0.2339  1.0
  Hg  Hg3  3  0.0000  0.0000  0.5031  1.0
  Pd  Pd4  3  0.0000  0.0000  0.1609  1.0
  Pd  Pd5  3  0.0000  0.0000  0.8496  1.0
]