data_[K4Na4Au4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4135]
_cell_length_b [7.5722]
_cell_length_c [6.4737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNaAuBr3]
_chemical_formula_sum '[K4 Na4 Au4 Br12]'
_cell_volume [899.0307]
_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  0.2354  0.0000  0.7607  1
  Na  Na1  4  0.0647  0.0000  0.1883  1
  Au  Au2  4  0.0000  0.2641  0.5000  1
  Br  Br3  8  0.0805  0.2515  0.8175  1
  Br  Br4  4  0.2158  0.0000  0.2600  1
]