data_[K4Au8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9468]
_cell_length_b [18.8177]
_cell_length_c [6.7570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(AuBr3)2]
_chemical_formula_sum '[K4 Au8 Br24]'
_cell_volume [1381.5669]
_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  0.2555  0.2500  1.0
  Au  Au1  8  0.2455  0.4286  0.8646  1.0
  Br  Br2  8  0.1050  0.4105  0.1289  1.0
  Br  Br3  8  0.1520  0.0347  0.4425  1.0
  Br  Br4  8  0.2043  0.3066  0.7241  1.0
]