data_[Zr9Ti3Nb9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2796]
_cell_length_b [6.2796]
_cell_length_c [15.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr3TiNb3N8]
_chemical_formula_sum '[Zr9 Ti3 Nb9 N24]'
_cell_volume [532.8272]
_cell_formula_units_Z [3]
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
[
  Zr  Zr0  9  0.0000  0.5000  0.5000  1.0
  Ti  Ti1  3  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  9  0.0000  0.5000  0.0000  1.0
  N  N3  18  0.0115  0.5058  0.7446  1.0
  N  N4  6  0.0000  0.0000  0.2510  1.0
]