data_[Rb3As18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5332]
_cell_length_b [11.5332]
_cell_length_c [9.1856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb(AsPd2)6]
_chemical_formula_sum '[Rb3 As18 Pd36]'
_cell_volume [1058.1297]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.0000  1.0
  As  As1  18  0.0445  0.5223  0.2850  1.0
  Pd  Pd2  18  0.0000  0.3732  0.5000  1.0
  Pd  Pd3  18  0.0923  0.1847  0.3609  1.0
]