data_[Nd12Sm3Th9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  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 [7.3040]
_cell_length_b [7.3040]
_cell_length_c [17.8580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd4SmTh3N8]
_chemical_formula_sum '[Nd12 Sm3 Th9 N24]'
_cell_volume [825.0513]
_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
  Sm  Sm2  3  -0.0000  -0.0000  0.0000  1
  Th  Th3  9  0.0000  0.5000  0.0000  1
  N  N4  18  0.0048  0.5024  0.2541  1
  N  N5  6  0.0000  0.0000  0.2545  1
]