data_[Hf8Ni8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0688]
_cell_length_b [7.0688]
_cell_length_c [6.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Hf2Ni2Sn]
_chemical_formula_sum '[Hf8 Ni8 Sn4]'
_cell_volume [339.1329]
_cell_formula_units_Z [4]
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  0.1523  0.1523  0.5000  1.0
  Hf  Hf1  4  0.1809  0.1809  0.0000  1.0
  Ni  Ni2  8  0.1263  0.8737  0.2156  1.0
  Sn  Sn3  4  0.0000  0.5000  0.2500  1.0
]