data_[Hf16Sn4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8838]
_cell_length_b [4.4411]
_cell_length_c [7.4338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Sn2Bi]
_chemical_formula_sum '[Hf16 Sn4 Bi2]'
_cell_volume [494.1042]
_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  0.0470  0.0000  0.7342  1.0
  Hf  Hf1  4  0.0901  0.5000  0.4576  1.0
  Hf  Hf2  4  0.1441  0.0000  0.2010  1.0
  Hf  Hf3  4  0.1840  0.5000  0.9159  1.0
  Sn  Sn4  4  0.2217  0.0000  0.6514  1.0
  Bi  Bi5  2  0.0000  0.5000  0.0000  1.0
]