data_[Cs16K4Hg4]
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 [12.9148]
_cell_length_b [18.6152]
_cell_length_c [8.7730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs4KHg]
_chemical_formula_sum '[Cs16 K4 Hg4]'
_cell_volume [2001.7984]
_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  0.1045  0.1652  0.0567  1.0
  Cs  Cs1  8  0.2293  0.4141  0.3713  1.0
  K  K2  4  0.0000  0.3816  0.7500  1.0
  Hg  Hg3  4  0.0000  0.0024  0.7500  1.0
]