data_[Rb3Ba6Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7021]
_cell_length_b [4.7021]
_cell_length_c [35.1201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbBa2Pd]
_chemical_formula_sum '[Rb3 Ba6 Pd3]'
_cell_volume [672.4637]
_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  0.5005  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0482  1.0
  Ba  Ba2  3  0.0000  0.0000  0.2848  1.0
  Pd  Pd3  3  0.0000  0.0000  0.6664  1.0
]