data_[Cs54Rb18Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [18.0538]
_cell_length_b [18.0538]
_cell_length_c [25.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Cs9Rb3Pd2]
_chemical_formula_sum '[Cs54 Rb18 Pd12]'
_cell_volume [7266.3766]
_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  36  0.0051  0.8398  0.9099  1
  Cs  Cs1  18  0.0000  0.1453  0.7500  1
  Rb  Rb2  18  0.0000  0.3424  0.2500  1
  Pd  Pd3  12  0.0000  0.0000  0.1565  1
]