data_[Cs3Rb3Cu9I18]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.6106]
_cell_length_b [9.6106]
_cell_length_c [17.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsRb(CuI2)3]
_chemical_formula_sum '[Cs3 Rb3 Cu9 I18]'
_cell_volume [1388.6125]
_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  0.4986  1.0
  Rb  Rb1  3  0.0000  0.0000  0.0416  1.0
  Cu  Cu2  9  0.0271  0.1735  0.7509  1.0
  I  I3  9  0.0812  0.3493  0.8654  1.0
  I  I4  9  0.0929  0.7131  0.3467  1.0
]