data_[Rb6I2Cl8]
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 [Pmn2_1]
_cell_length_a [14.2215]
_cell_length_b [7.1666]
_cell_length_c [6.7269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3ICl4]
_chemical_formula_sum '[Rb6 I2 Cl8]'
_cell_volume [685.6154]
_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  0.2489  0.2594  0.5924  1.0
  Rb  Rb1  2  0.0000  0.7896  0.5876  1.0
  I  I2  2  0.0000  0.3953  0.8722  1.0
  Cl  Cl3  4  0.2252  0.7625  0.5950  1.0
  Cl  Cl4  2  0.0000  0.2208  0.5399  1.0
  Cl  Cl5  2  0.0000  0.6498  0.1408  1.0
]