data_[Nd12Hf3Th9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1937]
_cell_length_b [7.1937]
_cell_length_c [17.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd4HfTh3N8]
_chemical_formula_sum '[Nd12 Hf3 Th9 N24]'
_cell_volume [792.1072]
_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
[
  Nd  Nd0  9  0.0000  0.5000  0.5000  1
  Nd  Nd1  3  -0.0000  -0.0000  0.5000  1
  Th  Th2  9  0.0000  0.5000  0.0000  1
  Hf  Hf3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0212  0.5106  0.7404  1
  N  N5  6  0.0000  0.0000  0.2545  1
]