data_[Rb12I2Br4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.1905]
_cell_length_b [12.5714]
_cell_length_c [9.9351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb6IBr2O]
_chemical_formula_sum '[Rb12 I2 Br4 O2]'
_cell_volume [1022.9823]
_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  0.0000  0.2222  0.1937  1
  Rb  Rb1  4  0.2337  0.0000  0.9808  1
  Rb  Rb2  4  0.2457  0.5000  0.6312  1
  I  I3  2  0.0000  0.5000  0.3203  1
  Br  Br4  4  0.0000  0.3174  0.8639  1
  O  O5  2  0.0000  0.0000  0.1838  1
]