data_[Rb6Ba3P6O21]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.0400]
_cell_length_b [6.0400]
_cell_length_c [22.5564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Rb2BaP2O7]
_chemical_formula_sum '[Rb6 Ba3 P6 O21]'
_cell_volume [712.6480]
_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  6  0.0000  0.0000  0.2882  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5000  1.0
  P  P2  6  0.0000  0.0000  0.0719  1.0
  O  O3  18  0.0521  0.4927  0.7556  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]