data_[Rb20Hg4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6859]
_cell_length_b [11.0403]
_cell_length_c [22.3579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb5HgBi2]
_chemical_formula_sum '[Rb20 Hg4 Bi8]'
_cell_volume [1650.3281]
_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  8  0.0000  0.0021  0.8597  1
  Rb  Rb1  8  0.0000  0.3254  0.0504  1
  Rb  Rb2  4  0.0000  0.3805  0.2500  1
  Hg  Hg3  4  0.0000  0.2738  0.7500  1
  Bi  Bi4  8  0.0000  0.3435  0.6222  1
]