data_[Nd16Th32N48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.3246]
_cell_length_b [10.3423]
_cell_length_c [21.9678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NdTh2N3]
_chemical_formula_sum '[Nd16 Th32 N48]'
_cell_volume [1664.1267]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.0830  1
  Th  Th1  16  0.0000  0.0000  0.2486  1
  Th  Th2  16  0.0000  0.0000  0.4157  1
  N  N3  32  0.0061  0.2438  0.5805  1
  N  N4  16  0.0136  0.2500  0.7500  1
]