data_[Cs3Rb3In6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8935]
_cell_length_b [8.8935]
_cell_length_c [20.9680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsRb(InI3)2]
_chemical_formula_sum '[Cs3 Rb3 In6 I18]'
_cell_volume [1436.2565]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5336  1.0
  Rb  Rb1  3  0.0000  0.0000  0.0181  1.0
  In  In2  3  0.0000  0.0000  0.2848  1.0
  In  In3  3  0.0000  0.0000  0.7846  1.0
  I  I4  9  0.0244  0.4526  0.5345  1.0
  I  I5  9  0.1085  0.7504  0.3704  1.0
]