data_[Hf8Sc16Co12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3725]
_cell_length_b [5.4118]
_cell_length_c [13.3435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Sc4(CoN)3]
_chemical_formula_sum '[Hf8 Sc16 Co12 N12]'
_cell_volume [656.6448]
_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  0.0439  0.5831  0.3869  1
  Sc  Sc1  8  0.1163  0.0825  0.0949  1
  Sc  Sc2  8  0.2163  0.0837  0.4052  1
  Co  Co3  8  0.2416  0.3427  0.2491  1
  Co  Co4  4  0.0000  0.0727  0.2500  1
  N  N5  8  0.0773  0.2678  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]