data_[Rb8Li4Hg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  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 [4.6489]
_cell_length_b [22.4750]
_cell_length_c [15.0145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiHgI5]
_chemical_formula_sum '[Rb8 Li4 Hg4 I20]'
_cell_volume [1568.7643]
_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  0.1290  0.6878  1.0
  Rb  Rb1  4  0.0000  0.1324  0.3145  1.0
  Li  Li2  4  0.0000  0.2278  0.0476  1.0
  Hg  Hg3  4  0.0000  0.4340  0.4313  1.0
  I  I4  4  0.0000  0.0386  0.0393  1.0
  I  I5  4  0.0000  0.2943  0.6540  1.0
  I  I6  4  0.0000  0.3138  0.3765  1.0
  I  I7  4  0.0000  0.3454  0.0025  1.0
  I  I8  4  0.0000  0.5000  0.7704  1.0
]