data_[K2Ag1I1Br6]
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 [7.0248]
_cell_length_b [7.6016]
_cell_length_c [8.6823]
_cell_angle_alpha [67.2684]
_cell_angle_beta [89.0586]
_cell_angle_gamma [65.7399]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2AgIBr6]
_chemical_formula_sum '[K2 Ag1 I1 Br6]'
_cell_volume [384.2306]
_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  2  0.3286  0.4369  0.3157  1.0
  Ag  Ag1  1  0.0000  0.0000  0.5000  1.0
  I  I2  1  0.5000  0.0000  0.0000  1.0
  Br  Br3  2  0.1516  0.5961  0.6278  1.0
  Br  Br4  2  0.2902  0.8136  0.9139  1.0
  Br  Br5  2  0.3212  0.9656  0.2968  1.0
]