data_[Hf24Al12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6362]
_cell_length_b [13.6929]
_cell_length_c [6.5249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf6Al3Sn]
_chemical_formula_sum '[Hf24 Al12 Sn4]'
_cell_volume [860.9406]
_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  8  0.2239  0.4658  0.5975  1
  Hf  Hf1  8  0.2245  0.3066  0.2805  1
  Hf  Hf2  4  0.0000  0.0331  0.7648  1
  Hf  Hf3  4  0.0000  0.3065  0.6902  1
  Al  Al4  8  0.1373  0.1299  0.4424  1
  Al  Al5  4  0.0000  0.4481  0.3199  1
  Sn  Sn6  4  0.0000  0.1815  0.0697  1
]