data_[Rb6Sn9Hg3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0154]
_cell_length_b [9.0154]
_cell_length_c [26.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Sn3HgBr8]
_chemical_formula_sum '[Rb6 Sn9 Hg3 Br24]'
_cell_volume [1845.7572]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4998  1.0
  Rb  Rb1  3  0.0000  0.0000  0.8660  1.0
  Sn  Sn2  9  0.0054  0.5027  0.0013  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1418  1.0
  Br  Br4  9  0.0298  0.5149  0.2662  1.0
  Br  Br5  9  0.1820  0.3641  0.0634  1.0
  Br  Br6  3  0.0000  0.0000  0.2734  1.0
  Br  Br7  3  0.0000  0.0000  0.7336  1.0
]