data_[Cs6Ba3P6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R-3m]
_cell_length_a [6.2285]
_cell_length_b [6.2285]
_cell_length_c [22.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2BaP2O7]
_chemical_formula_sum '[Cs6 Ba3 P6 O21]'
_cell_volume [739.8076]
_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
[
  Cs  Cs0  6  0.0000  0.0000  0.2842  1.0
  Ba  Ba1  3  -0.0000  -0.0000  0.5000  1.0
  P  P2  6  0.0000  0.0000  0.0738  1.0
  O  O3  18  0.0581  0.5290  0.7582  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]