data_[Hf8Co4N2]
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 [13.0787]
_cell_length_b [3.2141]
_cell_length_c [5.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Co2N]
_chemical_formula_sum '[Hf8 Co4 N2]'
_cell_volume [223.9837]
_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  0.0882  0.0000  0.4102  1
  Hf  Hf1  4  0.1281  0.5000  0.9741  1
  Co  Co2  4  0.2367  0.5000  0.6708  1
  N  N3  2  0.0000  0.0000  0.0000  1
]