data_[Hf10Ti2N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0161]
_cell_length_b [4.5273]
_cell_length_c [6.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5TiN5]
_chemical_formula_sum '[Hf10 Ti2 N10]'
_cell_volume [272.5082]
_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  0.1689  0.5000  0.3289  1.0
  Hf  Hf1  4  0.1691  0.5000  0.8388  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1652  0.0000  0.3299  1.0
  N  N5  4  0.1677  0.0000  0.8377  1.0
  N  N6  2  0.0000  0.5000  0.0000  1.0
]