data_[Rb6I2Cl12]
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 [P2_1/c]
_cell_length_a [5.2704]
_cell_length_b [8.7027]
_cell_length_c [17.6852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3ICl6]
_chemical_formula_sum '[Rb6 I2 Cl12]'
_cell_volume [778.7002]
_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  4  0.3108  0.6714  0.2645  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0972  0.2487  0.5761  1.0
  Cl  Cl4  4  0.2578  0.0233  0.3123  1.0
  Cl  Cl5  4  0.4003  0.6273  0.5931  1.0
]