data_[Nd4C1I2N1]
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
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6421]
_cell_length_b [3.8625]
_cell_length_c [8.0436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4CI2N]
_chemical_formula_sum '[Nd4 C1 I2 N1]'
_cell_volume [198.3102]
_cell_formula_units_Z [1]
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  2  0.2208  0.5000  0.1695  1.0
  Nd  Nd1  2  0.2730  0.0000  0.8287  1.0
  C  C2  1  0.5000  0.5000  0.0000  1.0
  I  I3  1  0.0000  0.5000  0.5000  1.0
  I  I4  1  0.5000  0.0000  0.5000  1.0
  N  N5  1  0.0000  0.0000  0.0000  1.0
]