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 [7.6388]
_cell_length_b [3.8398]
_cell_length_c [7.6521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3FeSn]
_chemical_formula_sum '[Hf6 Fe2 Sn2]'
_cell_volume [203.4004]
_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  0.0351  0.7500  0.2143  1.0
  Hf  Hf1  2  0.3265  0.7500  0.9049  1.0
  Hf  Hf2  2  0.3309  0.2500  0.5889  1.0
  Fe  Fe3  2  0.0771  0.7500  0.5643  1.0
  Sn  Sn4  2  0.3285  0.2500  0.1984  1.0
]