data_[Nd4U4I8Br4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  U  1.3800  1.7500  0.9913
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1598]
_cell_length_b [3.9783]
_cell_length_c [12.3704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdUI2BrN]
_chemical_formula_sum '[Nd4 U4 I8 Br4 N4]'
_cell_volume [770.2986]
_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  4  0.0734  0.5000  0.9611  1
  U  U1  4  0.1281  0.0000  0.2656  1
  I  I2  4  0.1621  0.5000  0.5043  1
  I  I3  4  0.2302  0.0000  0.1288  1
  Br  Br4  4  0.0345  0.0000  0.7517  1
  N  N5  4  0.0850  0.5000  0.1702  1
]