data_[K1Hf1Ag2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0175]
_cell_length_b [5.4934]
_cell_length_c [7.5510]
_cell_angle_alpha [92.2981]
_cell_angle_beta [90.6250]
_cell_angle_gamma [93.2555]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHfAg2F8]
_chemical_formula_sum '[K1 Hf1 Ag2 F8]'
_cell_volume [207.6041]
_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  0.4757  0.4937  0.2592  1.0
  F  F3  2  0.1602  0.8045  0.8039  1.0
  F  F4  2  0.1648  0.8052  0.1865  1.0
  F  F5  2  0.3154  0.2535  0.0096  1.0
  F  F6  2  0.4340  0.2726  0.5044  1.0
]