data_[Rb8Tl4Hg4I20]
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 [Cmc2_1]
_cell_length_a [4.8415]
_cell_length_b [22.6873]
_cell_length_c [15.7001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2TlHgI5]
_chemical_formula_sum '[Rb8 Tl4 Hg4 I20]'
_cell_volume [1724.4915]
_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  0.1252  0.6856  1.0
  Rb  Rb1  4  0.0000  0.1309  0.3376  1.0
  Tl  Tl2  4  0.0000  0.2036  0.0426  1.0
  Hg  Hg3  4  0.0000  0.4453  0.4131  1.0
  I  I4  4  0.0000  0.0275  0.0132  1.0
  I  I5  4  0.0000  0.2917  0.6948  1.0
  I  I6  4  0.0000  0.3247  0.3654  1.0
  I  I7  4  0.0000  0.3500  0.0137  1.0
  I  I8  4  0.0000  0.4906  0.7581  1.0
]