data_[Cs3Nd5O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.0393]
_cell_length_b [9.0393]
_cell_length_c [6.7936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cs3Nd5O9]
_chemical_formula_sum '[Cs3 Nd5 O9]'
_cell_volume [480.7281]
_cell_formula_units_Z [1]
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  0.4631  0.9087  1
  Nd  Nd1  3  0.0000  0.7574  0.4790  1
  Nd  Nd2  2  0.3333  0.6667  0.4638  1
  O  O3  6  0.2059  0.7756  0.6470  1
  O  O4  3  0.0000  0.5636  0.3065  1
]