data_[Nd8I2Br8N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [18.1554]
_cell_length_b [3.9317]
_cell_length_c [8.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4IBr4N]
_chemical_formula_sum '[Nd8 I2 Br8 N2]'
_cell_volume [605.5314]
_cell_formula_units_Z [2]
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  0.0010  0.0000  0.3069  1
  Nd  Nd1  4  0.1388  0.5000  0.5710  1
  I  I2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1655  0.0000  0.8317  1
  Br  Br4  4  0.1713  0.0000  0.3349  1
  N  N5  2  0.0000  0.5000  0.5000  1
]