data_[Hf6Ti24Sn9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4223]
_cell_length_b [5.4223]
_cell_length_c [30.3387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf2Ti8Sn3]
_chemical_formula_sum '[Hf6 Ti24 Sn9]'
_cell_volume [772.4824]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3610  1
  Ti  Ti1  18  0.0080  0.5040  0.2264  1
  Ti  Ti2  6  0.0000  0.0000  0.2756  1
  Sn  Sn3  6  0.0000  0.0000  0.1867  1
  Sn  Sn4  3  0.0000  0.0000  0.0000  1
]