data_[Rb8Tl4Hg4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5593]
_cell_length_b [18.6902]
_cell_length_c [15.1573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2TlHgCl5]
_chemical_formula_sum '[Rb8 Tl4 Hg4 Cl20]'
_cell_volume [1291.6282]
_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  0.1031  0.7386  1.0
  Rb  Rb1  4  0.0000  0.1579  0.2823  1.0
  Tl  Tl2  4  0.0000  0.4756  0.4617  1.0
  Hg  Hg3  4  0.0000  0.2227  0.0219  1.0
  Cl  Cl4  4  0.0000  0.0981  0.0684  1.0
  Cl  Cl5  4  0.0000  0.2552  0.6417  1.0
  Cl  Cl6  4  0.0000  0.3291  0.3807  1.0
  Cl  Cl7  4  0.0000  0.3400  0.9578  1.0
  Cl  Cl8  4  0.0000  0.4798  0.7708  1.0
]