data_[Hf20Co8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8311]
_cell_length_b [5.8471]
_cell_length_c [6.2233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5Co2]
_chemical_formula_sum '[Hf20 Co8]'
_cell_volume [537.0147]
_cell_formula_units_Z [4]
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  0.0937  0.1095  0.4271  1.0
  Hf  Hf1  8  0.2197  0.4323  0.8046  1.0
  Hf  Hf2  4  0.0000  0.4347  0.7500  1.0
  Co  Co3  8  0.1106  0.2964  0.0675  1.0
]