data_[Hf16Sn2Bi4]
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 [7.6776]
_cell_length_b [13.5366]
_cell_length_c [5.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8SnBi2]
_chemical_formula_sum '[Hf16 Sn2 Bi4]'
_cell_volume [521.0504]
_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  0.2046  0.1073  0.1587  1
  Hf  Hf1  4  0.0000  0.2213  0.5000  1
  Hf  Hf2  4  0.0896  0.5000  0.3031  1
  Sn  Sn3  2  0.0000  0.0000  0.5000  1
  Bi  Bi4  4  0.0000  0.3030  0.0000  1
]