data_[Hf3Mg12Nb9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  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 [6.2140]
_cell_length_b [6.2140]
_cell_length_c [15.5613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HfMg4Nb3N8]
_chemical_formula_sum '[Hf3 Mg12 Nb9 N24]'
_cell_volume [520.3715]
_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
[
  Hf  Hf0  3  0.0000  0.0000  0.5000  1
  Mg  Mg1  9  0.0000  0.5000  0.0000  1
  Mg  Mg2  3  -0.0000  -0.0000  0.0000  1
  Nb  Nb3  9  0.0000  0.5000  0.5000  1
  N  N4  18  0.0018  0.5009  0.7525  1
  N  N5  6  0.0000  0.0000  0.2489  1
]