data_[Hf4Al2Fe10Si4]
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
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.1980]
_cell_length_b [9.1980]
_cell_length_c [3.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf2AlFe5Si2]
_chemical_formula_sum '[Hf4 Al2 Fe10 Si4]'
_cell_volume [263.9854]
_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  0.1742  0.3258  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  8  0.0651  0.7918  0.5000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
  Si  Si4  4  0.1242  0.6242  0.0000  1
]