data_[Hf1Ag1Cl6]
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 [P-1]
_cell_length_a [6.1774]
_cell_length_b [6.7648]
_cell_length_c [6.7947]
_cell_angle_alpha [116.2792]
_cell_angle_beta [116.5076]
_cell_angle_gamma [90.2084]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfAgCl6]
_chemical_formula_sum '[Hf1 Ag1 Cl6]'
_cell_volume [220.5498]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl2  2  0.0428  0.2104  0.4130  1.0
  Cl  Cl3  2  0.2566  0.7646  0.1604  1.0
  Cl  Cl4  2  0.3974  0.2672  0.1646  1.0
]