data_[Hf24In4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0007]
_cell_length_b [14.5317]
_cell_length_c [7.2631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf6InSn3]
_chemical_formula_sum '[Hf24 In4 Sn12]'
_cell_volume [949.9787]
_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  0.1903  0.4235  0.3970  1
  Hf  Hf1  8  0.2155  0.2203  0.1913  1
  Hf  Hf2  4  0.0000  0.0486  0.1969  1
  Hf  Hf3  4  0.0000  0.2611  0.4812  1
  In  In4  4  0.0000  0.1731  0.8714  1
  Sn  Sn5  8  0.2022  0.0999  0.5209  1
  Sn  Sn6  4  0.0000  0.4153  0.7471  1
]