data_[Hf4Al2Co4]
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 [P4/mbm]
_cell_length_a [6.9690]
_cell_length_b [6.9690]
_cell_length_c [3.2721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf2AlCo2]
_chemical_formula_sum '[Hf4 Al2 Co4]'
_cell_volume [158.9144]
_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  0.1709  0.3291  0.5000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1290  0.6290  0.0000  1.0
]