data_[K3Na9Zn12Br36]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.9479]
_cell_length_b [14.9479]
_cell_length_c [11.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KNa3(ZnBr3)4]
_chemical_formula_sum '[K3 Na9 Zn12 Br36]'
_cell_volume [2228.1530]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Na  Na1  9  0.0000  0.5489  0.0000  1.0
  Zn  Zn2  9  0.0000  0.4443  0.5000  1.0
  Zn  Zn3  3  0.0000  0.0000  0.5000  1.0
  Br  Br4  18  0.0420  0.2138  0.1686  1.0
  Br  Br5  9  0.0000  0.6017  0.5000  1.0
  Br  Br6  9  0.0000  0.8432  0.5000  1.0
]