data_[Rb8Se8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4170]
_cell_length_b [14.6195]
_cell_length_c [8.5640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbSeBr3]
_chemical_formula_sum '[Rb8 Se8 Br24]'
_cell_volume [1552.0017]
_cell_formula_units_Z [8]
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  8  0.2340  0.3783  0.7866  1.0
  Se  Se1  4  0.0000  0.1339  0.7500  1.0
  Se  Se2  4  0.0000  0.2711  0.2500  1.0
  Br  Br3  8  0.0188  0.3842  0.4677  1.0
  Br  Br4  8  0.0269  0.1210  0.4526  1.0
  Br  Br5  8  0.2101  0.1318  0.8029  1.0
]