data_[Hf16Co4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3122]
_cell_length_b [4.3917]
_cell_length_c [5.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Co2N]
_chemical_formula_sum '[Hf16 Co4 N2]'
_cell_volume [410.1710]
_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  4  0.0469  0.0000  0.2646  1
  Hf  Hf1  4  0.0853  0.5000  0.7928  1
  Hf  Hf2  4  0.1833  0.5000  0.3877  1
  Hf  Hf3  4  0.2037  0.0000  0.0656  1
  Co  Co4  4  0.1659  0.0000  0.6057  1
  N  N5  2  0.0000  0.5000  0.0000  1
]