data_[Hf4Al1Ga1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2003]
_cell_length_b [3.2003]
_cell_length_c [14.0567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Hf4AlGaN2]
_chemical_formula_sum '[Hf4 Al1 Ga1 N2]'
_cell_volume [124.6766]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3427  1
  Hf  Hf1  2  0.3333  0.6667  0.1622  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  1  0.3333  0.6667  0.5000  1
  N  N4  2  0.6667  0.3333  0.2530  1
]