data_[Hf4In2B1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3526]
_cell_length_b [3.3526]
_cell_length_c [14.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Hf4In2BN]
_chemical_formula_sum '[Hf4 In2 B1 N1]'
_cell_volume [144.1052]
_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  0.3333  0.6667  0.0800  1
  Hf  Hf1  2  0.3333  0.6667  0.4141  1
  In  In2  2  0.3333  0.6667  0.7549  1
  B  B3  1  0.0000  0.0000  0.5000  1
  N  N4  1  0.0000  0.0000  0.0000  1
]