data_[Hf16Zn2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6744]
_cell_length_b [4.3614]
_cell_length_c [7.2955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8ZnSn2]
_chemical_formula_sum '[Hf16 Zn2 Sn4]'
_cell_volume [472.1974]
_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  0.0456  0.0000  0.7452  1.0
  Hf  Hf1  4  0.0880  0.5000  0.4500  1.0
  Hf  Hf2  4  0.1370  0.0000  0.1898  1.0
  Hf  Hf3  4  0.1806  0.5000  0.9207  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.2214  0.0000  0.6501  1.0
]