data_[Cs8K12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [21.2959]
_cell_length_b [10.3695]
_cell_length_c [7.9691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2K3Hg]
_chemical_formula_sum '[Cs8 K12 Hg4]'
_cell_volume [1744.8608]
_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
[
  Cs  Cs0  8  0.1806  0.3409  0.7140  1.0
  K  K1  8  0.0923  0.0694  0.1172  1.0
  K  K2  4  0.0000  0.4082  0.2500  1.0
  Hg  Hg3  4  0.0000  0.2305  0.7500  1.0
]