data_[Rb4Tl8Hg4I16]
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 [Cmcm]
_cell_length_a [5.5742]
_cell_length_b [15.6196]
_cell_length_c [17.2228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbTl2HgI4]
_chemical_formula_sum '[Rb4 Tl8 Hg4 I16]'
_cell_volume [1499.5362]
_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  0.0000  0.1440  0.7500  1
  Tl  Tl1  8  0.0000  0.3711  0.5460  1
  Hg  Hg2  4  0.0000  0.1079  0.2500  1
  I  I3  8  0.0000  0.2625  0.1239  1
  I  I4  4  0.0000  0.0000  0.0000  1
  I  I5  4  0.0000  0.4449  0.7500  1
]