data_[Hf6Ti4Sn8]
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 [C2/m]
_cell_length_a [12.7155]
_cell_length_b [4.4326]
_cell_length_c [9.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(TiSn2)2]
_chemical_formula_sum '[Hf6 Ti4 Sn8]'
_cell_volume [385.0860]
_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  4  0.1594  0.5000  0.6858  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  4  0.1548  0.5000  0.3399  1
  Sn  Sn3  4  0.0438  0.0000  0.3800  1
  Sn  Sn4  4  0.1627  0.5000  0.0241  1
]