data_[Hf16Tc4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2842]
_cell_length_b [6.3292]
_cell_length_c [5.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Tc2N3]
_chemical_formula_sum '[Hf16 Tc4 N6]'
_cell_volume [454.2519]
_cell_formula_units_Z [2]
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  8  0.0940  0.2462  0.3887  1
  Hf  Hf1  4  0.1073  0.0000  0.9030  1
  Hf  Hf2  4  0.1179  0.5000  0.9382  1
  Tc  Tc3  4  0.2485  0.5000  0.6276  1
  N  N4  4  0.0000  0.2437  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]