data_[Cs3Nb3P6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1655]
_cell_length_b [5.1655]
_cell_length_c [27.4541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsNb(PO4)2]
_chemical_formula_sum '[Cs3 Nb3 P6 O24]'
_cell_volume [634.3977]
_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  3  -0.0000  0.0000  0.5000  1.0
  Nb  Nb1  3  0.0000  0.0000  0.0000  1.0
  P  P2  6  0.0000  0.0000  0.2694  1.0
  O  O3  18  0.0207  0.5814  0.3753  1.0
  O  O4  6  0.0000  0.0000  0.2149  1.0
]