data_[Rb12I4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5880]
_cell_length_b [14.8750]
_cell_length_c [8.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6I2Cl3]
_chemical_formula_sum '[Rb12 I4 Cl6]'
_cell_volume [1057.2624]
_cell_formula_units_Z [2]
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  8  0.2435  0.1644  0.2237  1
  Rb  Rb1  4  0.2368  0.5000  0.2238  1
  I  I2  4  0.0000  0.1666  0.5000  1
  Cl  Cl3  4  0.0000  0.3326  0.0000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
]