data_[Nd2C2Br2N4]
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 [P2_1/m]
_cell_length_a [5.3796]
_cell_length_b [3.9475]
_cell_length_c [7.7173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdCBrN2]
_chemical_formula_sum '[Nd2 C2 Br2 N4]'
_cell_volume [161.6092]
_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  2  0.3286  0.7500  0.2748  1
  C  C1  2  0.1503  0.7500  0.6373  1
  Br  Br2  2  0.2426  0.2500  0.9563  1
  N  N3  2  0.0703  0.2500  0.3432  1
  N  N4  2  0.3748  0.7500  0.6137  1
]