data_[Hf16Zn4N8]
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 [Cmcm]
_cell_length_a [3.3135]
_cell_length_b [11.0920]
_cell_length_c [11.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf4ZnN2]
_chemical_formula_sum '[Hf16 Zn4 N8]'
_cell_volume [421.9809]
_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  0.0000  0.2390  0.6068  1
  Hf  Hf1  4  0.0000  0.0779  0.2500  1
  Hf  Hf2  4  0.0000  0.5000  0.0000  1
  Zn  Zn3  4  0.0000  0.3888  0.2500  1
  N  N4  8  0.0000  0.1329  0.0610  1
]