data_[Hf2Ag6Cl4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1300]
_cell_length_b [6.8602]
_cell_length_c [4.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfAg3(ClF3)2]
_chemical_formula_sum '[Hf2 Ag6 Cl4 F12]'
_cell_volume [449.4173]
_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  0.0000  0.5000  1
  Ag  Ag1  4  0.2500  0.2500  0.5000  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1773  0.5000  0.1981  1
  F  F4  8  0.0608  0.2125  0.7294  1
  F  F5  4  0.1321  0.0000  0.2941  1
]