data_[K9Zn3In9Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3266]
_cell_length_b [9.3266]
_cell_length_c [22.9658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3ZnIn3Br8]
_chemical_formula_sum '[K9 Zn3 In9 Br24]'
_cell_volume [1730.0591]
_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  9  0.0000  0.5000  0.5000  1.0
  Zn  Zn1  3  -0.0000  -0.0000  0.5000  1.0
  In  In2  9  0.0000  0.5000  0.0000  1.0
  Br  Br3  18  0.0600  0.5300  0.2349  1.0
  Br  Br4  6  0.0000  0.0000  0.2482  1.0
]