data_[Rb24Se8Br8]
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 [16.9305]
_cell_length_b [12.1576]
_cell_length_c [9.1278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3SeBr]
_chemical_formula_sum '[Rb24 Se8 Br8]'
_cell_volume [1877.4552]
_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  0.1040  0.0972  0.9055  1
  Rb  Rb1  8  0.1220  0.4696  0.0714  1
  Rb  Rb2  8  0.1956  0.1854  0.3351  1
  Se  Se3  8  0.2390  0.0499  0.6505  1
  Br  Br4  4  0.0000  0.1357  0.2500  1
  Br  Br5  4  0.0000  0.3455  0.7500  1
]