data_[Zn12Cr24N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5208]
_cell_length_b [4.8948]
_cell_length_c [13.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZnCr2N]
_chemical_formula_sum '[Zn12 Cr24 N12]'
_cell_volume [539.2985]
_cell_formula_units_Z [12]
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
[
  Zn  Zn0  8  0.1701  0.4141  0.7496  1
  Zn  Zn1  4  0.0000  0.0765  0.2500  1
  Cr  Cr2  8  0.0548  0.4175  0.4122  1
  Cr  Cr3  8  0.1118  0.0824  0.5825  1
  Cr  Cr4  8  0.2229  0.0844  0.9199  1
  N  N5  8  0.0821  0.2514  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]