data_[Rb2Tl2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3755]
_cell_length_b [8.4075]
_cell_length_c [9.7802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTlHgI4]
_chemical_formula_sum '[Rb2 Tl2 Hg2 I8]'
_cell_volume [656.2198]
_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  2  0.2270  0.2500  0.5601  1.0
  Tl  Tl1  2  0.2317  0.2500  0.0563  1.0
  Hg  Hg2  2  0.2446  0.7500  0.2978  1.0
  I  I3  4  0.0010  0.0067  0.2307  1.0
  I  I4  2  0.4159  0.7500  0.5946  1.0
  I  I5  2  0.4292  0.7500  0.1016  1.0
]