data_[K1Ag2I1Br8]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4710]
_cell_length_b [7.9697]
_cell_length_c [10.7006]
_cell_angle_alpha [97.4929]
_cell_angle_beta [93.2161]
_cell_angle_gamma [107.8381]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAg2IBr8]
_chemical_formula_sum '[K1 Ag2 I1 Br8]'
_cell_volume [518.1341]
_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  0.5000  0.0000  1.0
  Ag  Ag1  2  0.0016  0.7531  0.5125  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1148  0.7951  0.8103  1.0
  Br  Br4  2  0.2792  0.0677  0.4941  1.0
  Br  Br5  2  0.2805  0.5698  0.5007  1.0
  Br  Br6  2  0.3413  0.2814  0.9620  1.0
]