data_[Rb3Ba3N9O18]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9482]
_cell_length_b [7.9482]
_cell_length_c [12.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbBa(NO2)3]
_chemical_formula_sum '[Rb3 Ba3 N9 O18]'
_cell_volume [658.1314]
_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  0.4706  1.0
  Ba  Ba1  3  0.0000  0.0000  0.9799  1.0
  N  N2  9  0.0687  0.5801  0.4646  1.0
  O  O3  9  0.0159  0.7077  0.7152  1.0
  O  O4  9  0.1025  0.3709  0.8132  1.0
]