data_[K1Hf1Ag2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.5740]
_cell_length_b [6.8809]
_cell_length_c [8.6523]
_cell_angle_alpha [95.2488]
_cell_angle_beta [108.6921]
_cell_angle_gamma [96.2983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHf(AgCl4)2]
_chemical_formula_sum '[K1 Hf1 Ag2 Cl8]'
_cell_volume [365.1559]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4426  0.4037  0.2970  1.0
  Cl  Cl3  2  0.1999  0.3346  0.0072  1.0
  Cl  Cl4  2  0.2108  0.8576  0.8453  1.0
  Cl  Cl5  2  0.2169  0.4892  0.4824  1.0
  Cl  Cl6  2  0.2763  0.9546  0.2602  1.0
]