data_[Hf2Al4Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1867]
_cell_length_b [4.1867]
_cell_length_c [10.3019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HfAl2Co3]
_chemical_formula_sum '[Hf2 Al4 Co6]'
_cell_volume [156.3832]
_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  2  0.3333  0.6667  0.6710  1
  Al  Al1  2  0.3333  0.6667  0.1595  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Al  Al3  1  0.0000  0.0000  0.5000  1
  Co  Co4  2  0.0000  0.0000  0.2395  1
  Co  Co5  2  0.3333  0.6667  0.4156  1
  Co  Co6  2  0.3333  0.6667  0.9218  1
]