data_[K8Rb4Hg16]
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 [C2/c]
_cell_length_a [20.6650]
_cell_length_b [6.9457]
_cell_length_c [7.5298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2RbHg4]
_chemical_formula_sum '[K8 Rb4 Hg16]'
_cell_volume [1065.1693]
_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
[
  K  K0  8  0.1926  0.4163  0.6581  1
  Rb  Rb1  4  0.0000  0.2613  0.7500  1
  Hg  Hg2  8  0.0756  0.2420  0.2774  1
  Hg  Hg3  8  0.1602  0.0731  0.0087  1
]