data_[Hf16Sn4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7690]
_cell_length_b [6.4130]
_cell_length_c [5.6542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Sn2N3]
_chemical_formula_sum '[Hf16 Sn4 N6]'
_cell_volume [510.9638]
_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  8  0.0842  0.2537  0.4028  1
  Hf  Hf1  4  0.0834  0.0000  0.8930  1
  Hf  Hf2  4  0.0985  0.5000  0.9426  1
  Sn  Sn3  4  0.2451  0.0000  0.3341  1
  N  N4  4  0.0000  0.2452  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]