data_[Rb2I3Br2]
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/m]
_cell_length_a [5.3029]
_cell_length_b [4.8839]
_cell_length_c [13.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2I3Br2]
_chemical_formula_sum '[Rb2 I3 Br2]'
_cell_volume [345.8217]
_cell_formula_units_Z [1]
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  0.2789  0.5000  0.2122  1
  I  I1  2  0.3959  0.0000  0.5958  1
  I  I2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.2171  0.0000  0.7994  1
]