data_[Rb18Co6I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1603]
_cell_length_b [13.1603]
_cell_length_c [17.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb3CoI6]
_chemical_formula_sum '[Rb18 Co6 I36]'
_cell_volume [2625.8033]
_cell_formula_units_Z [6]
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  18  0.0658  0.5860  0.3929  1.0
  Co  Co1  3  -0.0000  0.0000  0.5000  1.0
  Co  Co2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0652  0.8769  0.4126  1.0
  I  I4  18  0.0695  0.1860  0.0904  1.0
]