data_[Nd8N48O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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_132]
_cell_length_a [13.4154]
_cell_length_b [13.4154]
_cell_length_c [13.4154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Nd2(N4O9)3]
_chemical_formula_sum '[Nd8 N48 O108]'
_cell_volume [2414.4337]
_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
[
  Nd  Nd0  8  0.0479  0.0479  0.0479  1
  N  N1  24  0.0931  0.3830  0.3866  1
  N  N2  12  0.0094  0.2594  0.1250  1
  N  N3  12  0.0446  0.8750  0.7054  1
  O  O4  24  0.0105  0.8408  0.3350  1
  O  O5  24  0.0296  0.3735  0.4556  1
  O  O6  24  0.0374  0.6624  0.5973  1
  O  O7  24  0.0612  0.4031  0.8843  1
  O  O8  12  0.0596  0.6904  0.3750  1
]