data_[Hf8Zr16Sn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8844]
_cell_length_b [5.7115]
_cell_length_c [15.0068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Zr4(SnN)3]
_chemical_formula_sum '[Hf8 Zr16 Sn12 N12]'
_cell_volume [826.5137]
_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  0.0573  0.4150  0.4162  1
  Zr  Zr1  8  0.1125  0.0794  0.5866  1
  Zr  Zr2  8  0.2191  0.0856  0.9133  1
  Sn  Sn3  8  0.1645  0.4184  0.7491  1
  Sn  Sn4  4  0.0000  0.0873  0.2500  1
  N  N5  8  0.0795  0.2607  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]