data_[Rb4Hg4I8]
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 [P2_1/c]
_cell_length_a [8.7633]
_cell_length_b [10.2319]
_cell_length_c [10.0500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbHgI2]
_chemical_formula_sum '[Rb4 Hg4 I8]'
_cell_volume [829.8053]
_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  0.2312  0.6386  0.4748  1.0
  Hg  Hg1  4  0.2994  0.1864  0.6511  1.0
  I  I2  4  0.0776  0.1938  0.8496  1.0
  I  I3  4  0.4669  0.5801  0.2315  1.0
]