data_[Rb6Sn3Hg3Br18]
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 [R3]
_cell_length_a [8.1303]
_cell_length_b [8.1303]
_cell_length_c [19.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2SnHgBr6]
_chemical_formula_sum '[Rb6 Sn3 Hg3 Br18]'
_cell_volume [1117.4879]
_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  0.0581  1.0
  Rb  Rb1  3  0.0000  0.0000  0.5545  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8163  1.0
  Hg  Hg3  3  0.0000  0.0000  0.3159  1.0
  Br  Br4  9  0.0069  0.5719  0.0682  1.0
  Br  Br5  9  0.0989  0.3359  0.9030  1.0
]