data_[Hf16Co4B4]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.0273]
_cell_length_b [8.0273]
_cell_length_c [7.2261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Hf4CoB]
_chemical_formula_sum '[Hf16 Co4 B4]'
_cell_volume [465.6388]
_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  0.0000  0.2944  0.2647  1
  Hf  Hf1  8  0.0000  0.2986  0.7351  1
  Co  Co2  4  0.0000  0.0000  0.7546  1
  B  B3  4  0.0000  0.0000  0.2459  1
]