data_[Hf2Fe4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0734]
_cell_length_b [3.9032]
_cell_length_c [8.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf(FeSi)2]
_chemical_formula_sum '[Hf2 Fe4 Si4]'
_cell_volume [135.5951]
_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  0.2454  0.7500  0.7397  1.0
  Fe  Fe1  2  0.1602  0.7500  0.0994  1.0
  Fe  Fe2  2  0.2504  0.2500  0.5021  1.0
  Si  Si3  2  0.2453  0.7500  0.3620  1.0
  Si  Si4  2  0.3315  0.2500  0.9991  1.0
]