data_[Hf16Cr8Sb12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1158]
_cell_length_b [5.7485]
_cell_length_c [13.5004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Cr2(SbN)3]
_chemical_formula_sum '[Hf16 Cr8 Sb12 N12]'
_cell_volume [759.6417]
_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
[
  Hf  Hf0  8  0.1108  0.0953  0.5852  1
  Hf  Hf1  8  0.2269  0.9237  0.4148  1
  Cr  Cr2  8  0.0428  0.4295  0.4262  1
  Sb  Sb3  8  0.1567  0.4288  0.7510  1
  Sb  Sb4  4  0.0000  0.1024  0.2500  1
  N  N5  8  0.0860  0.2452  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]