data_[Rb1Ce1Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8282]
_cell_length_b [8.4023]
_cell_length_c [10.4920]
_cell_angle_alpha [66.4582]
_cell_angle_beta [82.6797]
_cell_angle_gamma [84.8850]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCe(HgI4)2]
_chemical_formula_sum '[Rb1 Ce1 Hg2 I8]'
_cell_volume [626.9542]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4671  0.0308  0.3028  1.0
  I  I3  2  0.1097  0.9774  0.2931  1.0
  I  I4  2  0.1526  0.3546  0.8427  1.0
  I  I5  2  0.3482  0.7874  0.9508  1.0
  I  I6  2  0.4378  0.2658  0.4618  1.0
]