data_[Rb2I2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0781]
_cell_length_b [10.5719]
_cell_length_c [9.4242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbIBr4]
_chemical_formula_sum '[Rb2 I2 Br8]'
_cell_volume [591.4718]
_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  2  0.2674  0.2500  0.3089  1
  I  I1  2  0.3777  0.7500  0.1372  1
  Br  Br2  4  0.4601  0.5702  0.3775  1
  Br  Br3  2  0.1267  0.2500  0.8767  1
  Br  Br4  2  0.2794  0.7500  0.8362  1
]