data_[K12Nd8N36O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_332]
_cell_length_a [13.7101]
_cell_length_b [13.7101]
_cell_length_c [13.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [212]
_chemical_formula_structural [K3Nd2(NO3)9]
_chemical_formula_sum '[K12 Nd8 N36 O108]'
_cell_volume [2577.0533]
_cell_formula_units_Z [4]
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
[
  K  K0  12  0.0618  0.6250  0.1882  1
  Nd  Nd1  8  0.0501  0.4499  0.5501  1
  N  N2  24  0.0867  0.8612  0.0986  1
  N  N3  12  0.0138  0.2362  0.6250  1
  O  O4  24  0.0026  0.8249  0.0812  1
  O  O5  24  0.0075  0.6531  0.8431  1
  O  O6  24  0.0522  0.1096  0.9390  1
  O  O7  24  0.0725  0.8937  0.5920  1
  O  O8  12  0.0528  0.8028  0.8750  1
]