data_[Nd24C3Br12N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5093]
_cell_length_b [7.5093]
_cell_length_c [22.0586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8CBr4N3]
_chemical_formula_sum '[Nd24 C3 Br12 N9]'
_cell_volume [1077.2234]
_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  18  0.0030  0.5015  0.2733  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2739  1.0
  C  C2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  9  0.0000  0.5000  0.5000  1.0
  Br  Br4  3  -0.0000  -0.0000  0.5000  1.0
  N  N5  9  0.0000  0.5000  0.0000  1.0
]