data_[Rb6Hg3Bi3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2123]
_cell_length_b [8.2123]
_cell_length_c [20.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2HgBiBr6]
_chemical_formula_sum '[Rb6 Hg3 Bi3 Br18]'
_cell_volume [1180.5260]
_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  0.4522  1.0
  Rb  Rb1  3  0.0000  0.0000  0.9563  1.0
  Hg  Hg2  3  0.0000  0.0000  0.1825  1.0
  Bi  Bi3  3  0.0000  0.0000  0.6805  1.0
  Br  Br4  9  0.0060  0.4334  0.4266  1.0
  Br  Br5  9  0.1021  0.7538  0.2625  1.0
]