data_[Hf6Fe2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6372]
_cell_length_b [3.8431]
_cell_length_c [7.6515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3FeSn]
_chemical_formula_sum '[Hf6 Fe2 Sn2]'
_cell_volume [203.2488]
_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  0.0353  0.2500  0.2134  1
  Hf  Hf1  2  0.3257  0.2500  0.9044  1
  Hf  Hf2  2  0.3316  0.7500  0.5887  1
  Fe  Fe3  2  0.0752  0.2500  0.5641  1
  Sn  Sn4  2  0.3285  0.7500  0.1982  1
]