data_[Cd6Br6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.8616]
_cell_length_b [3.9944]
_cell_length_c [14.5483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd3Br3N]
_chemical_formula_sum '[Cd6 Br6 N2]'
_cell_volume [1270.4038]
_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
[
  Cd  Cd0  4  0.0783  0.0000  0.8416  1
  Cd  Cd1  2  0.0000  0.0000  0.4954  1
  Br  Br2  4  0.1569  0.0000  0.3217  1
  Br  Br3  2  0.0000  0.0000  0.6850  1
  N  N4  2  0.0000  0.0000  0.9361  1
]