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 [12.7883]
_cell_length_b [4.8316]
_cell_length_c [11.6731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHg2I]
_chemical_formula_sum '[Rb4 Hg8 I4]'
_cell_volume [679.8073]
_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  0.0746  0.0000  0.3783  1
  Hg  Hg1  4  0.1130  0.5000  0.1338  1
  Hg  Hg2  4  0.1494  0.0000  0.9506  1
  I  I3  4  0.1541  0.5000  0.6478  1
]