data_[K8Rb20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0341]
_cell_length_b [16.1887]
_cell_length_c [28.8798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2Rb5Hg]
_chemical_formula_sum '[K8 Rb20 Hg4]'
_cell_volume [2353.5588]
_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  0.0909  0.1156  1.0
  K  K1  8  0.0000  0.1964  0.6752  1.0
  Rb  Rb2  8  0.0000  0.3654  0.0356  1.0
  Rb  Rb3  4  0.0000  0.4802  0.7500  1.0
  Hg  Hg4  4  0.0000  0.1981  0.2500  1.0
]