data_[Rb8Li4Hg4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5567]
_cell_length_b [19.7311]
_cell_length_c [14.2419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiHgBr5]
_chemical_formula_sum '[Rb8 Li4 Hg4 Br20]'
_cell_volume [1280.4781]
_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  0.1162  0.7003  1.0
  Rb  Rb1  4  0.0000  0.1267  0.3108  1.0
  Li  Li2  4  0.0000  0.4248  0.4329  1.0
  Hg  Hg3  4  0.0000  0.2113  0.0239  1.0
  Br  Br4  4  0.0000  0.0732  0.0243  1.0
  Br  Br5  4  0.0000  0.2894  0.6579  1.0
  Br  Br6  4  0.0000  0.3023  0.3747  1.0
  Br  Br7  4  0.0000  0.3456  0.0078  1.0
  Br  Br8  4  0.0000  0.4975  0.2914  1.0
]