data_[Hf12Al10Sn2]
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 [C2/m]
_cell_length_a [7.4385]
_cell_length_b [9.2996]
_cell_length_c [7.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6Al5Sn]
_chemical_formula_sum '[Hf12 Al10 Sn2]'
_cell_volume [501.1799]
_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  8  0.2422  0.3300  0.7401  1
  Hf  Hf1  4  0.2402  0.5000  0.2485  1
  Al  Al2  4  0.0000  0.1551  0.5000  1
  Al  Al3  4  0.0000  0.3299  0.0000  1
  Al  Al4  2  0.0000  0.5000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]