data_[Cd4Ni12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3177]
_cell_length_b [5.3072]
_cell_length_c [8.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CdNi3N]
_chemical_formula_sum '[Cd4 Ni12 N4]'
_cell_volume [235.5763]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.2017  1
  Cd  Cd1  2  0.5000  0.0000  0.7067  1
  Ni  Ni2  8  0.2441  0.2436  0.4428  1
  Ni  Ni3  2  0.0000  0.0000  0.6895  1
  Ni  Ni4  2  0.5000  0.0000  0.1894  1
  N  N5  2  0.0000  0.0000  0.9111  1
  N  N6  2  0.5000  0.0000  0.4115  1
]