data_[Hf12Zn4N4]
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 [10.2831]
_cell_length_b [4.5571]
_cell_length_c [7.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3ZnN]
_chemical_formula_sum '[Hf12 Zn4 N4]'
_cell_volume [334.3893]
_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  4  0.1098  0.0000  0.2044  1.0
  Hf  Hf1  4  0.1419  0.5000  0.9312  1.0
  Hf  Hf2  4  0.1490  0.0000  0.6548  1.0
  Zn  Zn3  4  0.0971  0.5000  0.4319  1.0
  N  N4  4  0.1215  0.0000  0.9237  1.0
]