data_[Hf1Nb1Si2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2173]
_cell_length_b [3.2173]
_cell_length_c [7.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [HfNb(SiN)2]
_chemical_formula_sum '[Hf1 Nb1 Si2 N2]'
_cell_volume [76.5333]
_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  1  0.0000  0.0000  0.6637  1
  Nb  Nb1  1  0.5000  0.5000  0.3171  1
  Si  Si2  2  0.0000  0.5000  0.0114  1
  N  N3  1  0.0000  0.0000  0.3802  1
  N  N4  1  0.5000  0.5000  0.6163  1
]