data_[Hf10Zn2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5357]
_cell_length_b [9.5833]
_cell_length_c [5.5365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5ZnN6]
_chemical_formula_sum '[Hf10 Zn2 N12]'
_cell_volume [276.9489]
_cell_formula_units_Z [2]
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  4  0.0000  0.1618  0.5000  1
  Hf  Hf1  4  0.0000  0.3339  0.0000  1
  Hf  Hf2  2  0.0000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2493  0.3326  0.7470  1
  N  N5  4  0.2486  0.0000  0.7551  1
]