data_[Rb6Ba4Nb2O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5021]
_cell_length_b [11.2989]
_cell_length_c [6.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ba2NbO6]
_chemical_formula_sum '[Rb6 Ba4 Nb2 O12]'
_cell_volume [475.4400]
_cell_formula_units_Z [2]
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  4  0.0000  0.1584  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  4  0.0000  0.3328  0.0000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.1916  0.1309  0.1821  1.0
  O  O5  4  0.2036  0.0000  0.8187  1.0
]