data_[Rb4Br28]
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 [Cmcm]
_cell_length_a [6.0867]
_cell_length_b [9.4555]
_cell_length_c [21.4576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbBr7]
_chemical_formula_sum '[Rb4 Br28]'
_cell_volume [1234.9432]
_cell_formula_units_Z [4]
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  0.3111  0.7500  1
  Br  Br1  8  0.0000  0.1223  0.0022  1
  Br  Br2  8  0.0000  0.2777  0.1661  1
  Br  Br3  8  0.0000  0.4897  0.1037  1
  Br  Br4  4  0.0000  0.0472  0.2500  1
]