data_[K3In6Sb3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1632]
_cell_length_b [8.1632]
_cell_length_c [20.9450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KIn2SbBr6]
_chemical_formula_sum '[K3 In6 Sb3 Br18]'
_cell_volume [1208.7254]
_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  0.1844  1.0
  In  In1  3  0.0000  0.0000  0.4752  1.0
  In  In2  3  0.0000  0.0000  0.9818  1.0
  Sb  Sb3  3  0.0000  0.0000  0.6760  1.0
  Br  Br4  9  0.0213  0.3975  0.4161  1.0
  Br  Br5  9  0.0695  0.6858  0.2574  1.0
]