data_[Rb4Hg8I4]
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 [C2/m]
_cell_length_a [12.8663]
_cell_length_b [4.8696]
_cell_length_c [11.7701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHg2I]
_chemical_formula_sum '[Rb4 Hg8 I4]'
_cell_volume [695.1148]
_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  4  0.0747  0.0000  0.3788  1.0
  Hg  Hg1  4  0.1130  0.5000  0.1338  1.0
  Hg  Hg2  4  0.1493  0.0000  0.9505  1.0
  I  I3  4  0.1541  0.5000  0.6477  1.0
]