data_[Rb6Sn9Hg3I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.5061]
_cell_length_b [9.5061]
_cell_length_c [28.0080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2Sn3HgI8]
_chemical_formula_sum '[Rb6 Sn9 Hg3 I24]'
_cell_volume [2191.9009]
_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  0.1370  1.0
  Rb  Rb1  3  0.0000  0.0000  0.5004  1.0
  Sn  Sn2  9  0.1709  0.3419  0.3319  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8575  1.0
  I  I4  9  0.0212  0.5106  0.2685  1.0
  I  I5  9  0.1796  0.3592  0.0666  1.0
  I  I6  3  0.0000  0.0000  0.2679  1.0
  I  I7  3  0.0000  0.0000  0.7287  1.0
]