data_[K3Rb3B6I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4203]
_cell_length_b [7.4203]
_cell_length_c [32.7126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KRb(BI4)2]
_chemical_formula_sum '[K3 Rb3 B6 I24]'
_cell_volume [1559.8750]
_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
[
  Rb  Rb0  3  -0.0000  0.0000  0.5000  1
  K  K1  3  0.0000  0.0000  0.0000  1
  B  B2  6  0.0000  0.0000  0.2431  1
  I  I3  18  0.0198  0.6076  0.9324  1
  I  I4  6  0.0000  0.0000  0.1743  1
]