data_[Rb3Sb2Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.0506]
_cell_length_b [8.0506]
_cell_length_c [9.7762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3Sb2Br9]
_chemical_formula_sum '[Rb3 Sb2 Br9]'
_cell_volume [548.7281]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6698  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.3333  0.6667  0.1880  1.0
  Br  Br3  6  0.1722  0.3443  0.3388  1.0
  Br  Br4  3  0.0000  0.5000  0.0000  1.0
]