data_[Rb4As8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4328]
_cell_length_b [13.0509]
_cell_length_c [11.1294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb(AsBr3)2]
_chemical_formula_sum '[Rb4 As8 Br24]'
_cell_volume [1704.1021]
_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  0.0961  0.7500  1.0
  As  As1  8  0.1338  0.4691  0.7217  1.0
  Br  Br2  8  0.1199  0.4762  0.9634  1.0
  Br  Br3  8  0.1466  0.2893  0.6905  1.0
  Br  Br4  8  0.1564  0.0050  0.6131  1.0
]