data_[Rb18In6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8791]
_cell_length_b [12.8791]
_cell_length_c [15.2198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb3InCl6]
_chemical_formula_sum '[Rb18 In6 Cl36]'
_cell_volume [2186.3067]
_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  0.0460  0.7745  0.7034  1
  In  In1  3  0.0000  0.0000  0.0000  1
  In  In2  3  0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0188  0.8456  0.9050  1
  Cl  Cl4  18  0.0301  0.8546  0.4031  1
]