data_[K4Ag8Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6900]
_cell_length_b [10.6406]
_cell_length_c [9.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(AgBr2)2]
_chemical_formula_sum '[K4 Ag8 Br16]'
_cell_volume [945.8076]
_cell_formula_units_Z [4]
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  4  0.0000  0.4711  0.7500  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.5000  1.0
  Br  Br3  8  0.0080  0.2559  0.0250  1.0
  Br  Br4  8  0.2219  0.0048  0.4225  1.0
]