data_[Rb6Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [13.5499]
_cell_length_b [17.2492]
_cell_length_c [11.9704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [RbBr]
_chemical_formula_sum '[Rb6 Br6]'
_cell_volume [2797.7827]
_cell_formula_units_Z [6]
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  0.2571  0.0524  0.4750  1
  Rb  Rb1  2  0.5000  0.0596  0.1998  1
  Br  Br2  4  0.2491  0.0544  0.2013  1
  Br  Br3  2  0.5000  0.0652  0.4815  1
]