data_[Zr16Cr8Ni12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2248]
_cell_length_b [5.4189]
_cell_length_c [13.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Cr2(NiN)3]
_chemical_formula_sum '[Zr16 Cr8 Ni12 N12]'
_cell_volume [678.0050]
_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
[
  Zr  Zr0  8  0.1214  0.0853  0.6027  1
  Zr  Zr1  8  0.2187  0.0898  0.9011  1
  Cr  Cr2  8  0.0678  0.5829  0.9250  1
  Ni  Ni3  8  0.1421  0.4404  0.7480  1
  Ni  Ni4  4  0.0000  0.0906  0.2500  1
  N  N5  8  0.0888  0.2264  0.9995  1
  N  N6  4  0.2500  0.2500  0.5000  1
]