data_[Hf2Ag6Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [7.1428]
_cell_length_b [11.8868]
_cell_length_c [7.7991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [HfAg3Cl8]
_chemical_formula_sum '[Hf2 Ag6 Cl16]'
_cell_volume [662.1846]
_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  2  0.0000  0.5000  0.5000  1
  Ag  Ag1  4  0.2500  0.2500  0.2348  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.2477  0.4915  0.2825  1
  Cl  Cl4  4  0.0000  0.2874  0.0000  1
  Cl  Cl5  4  0.0000  0.2894  0.5000  1
]