data_[Rb4Hf2Hg4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  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 [8.7875]
_cell_length_b [15.5689]
_cell_length_c [9.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Hf(HgI3)2]
_chemical_formula_sum '[Rb4 Hf2 Hg4 I12]'
_cell_volume [1192.4790]
_cell_formula_units_Z [2]
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  0.0000  0.3309  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1946  0.0000  1.0
  I  I3  8  0.2121  0.1291  0.6949  1.0
  I  I4  4  0.1853  0.0000  0.3089  1.0
]