data_[Rb8Hg12I28]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [35.4554]
_cell_length_b [8.1601]
_cell_length_c [8.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2Hg3I7]
_chemical_formula_sum '[Rb8 Hg12 I28]'
_cell_volume [2449.3813]
_cell_formula_units_Z [4]
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  8  0.1002  0.2694  0.7157  1
  Hg  Hg1  8  0.2114  0.2121  0.2392  1
  Hg  Hg2  4  0.0000  0.3021  0.1564  1
  I  I3  8  0.0714  0.1751  0.1322  1
  I  I4  8  0.1578  0.4135  0.4021  1
  I  I5  8  0.2172  0.1180  0.9011  1
  I  I6  4  0.0000  0.3626  0.5430  1
]