data_[K1Ag1I1Br6]
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 [P1]
_cell_length_a [5.4457]
_cell_length_b [6.1628]
_cell_length_c [11.0819]
_cell_angle_alpha [82.1596]
_cell_angle_beta [84.1101]
_cell_angle_gamma [77.7209]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KAgIBr6]
_chemical_formula_sum '[K1 Ag1 I1 Br6]'
_cell_volume [358.9675]
_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  0.9857  0.0029  0.0231  1.0
  Ag  Ag1  1  0.5937  0.6314  0.3222  1.0
  I  I2  1  0.3936  0.3727  0.6649  1.0
  Br  Br3  1  0.0688  0.4998  0.8541  1.0
  Br  Br4  1  0.2403  0.7517  0.5013  1.0
  Br  Br5  1  0.4425  0.0075  0.1949  1.0
  Br  Br6  1  0.5726  0.9858  0.7982  1.0
  Br  Br7  1  0.7392  0.2588  0.4703  1.0
  Br  Br8  1  0.9635  0.4890  0.1708  1.0
]