data_[K4Au1I1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3992]
_cell_length_b [4.8371]
_cell_length_c [8.4549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K4AuIBr2]
_chemical_formula_sum '[K4 Au1 I1 Br2]'
_cell_volume [324.3133]
_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  0.2503  0.5000  0.2394  1.0
  K  K1  2  0.2592  0.0000  0.7635  1.0
  Au  Au2  1  0.5000  0.0000  0.5000  1.0
  I  I3  1  0.0000  0.5000  0.5000  1.0
  Br  Br4  1  0.0000  0.0000  0.0000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]