data_[Cs4K6Hg4]
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/m]
_cell_length_a [14.9083]
_cell_length_b [5.4563]
_cell_length_c [11.1769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3Hg2]
_chemical_formula_sum '[Cs4 K6 Hg4]'
_cell_volume [836.6317]
_cell_formula_units_Z [2]
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  4  0.1502  0.0000  0.8033  1.0
  K  K1  4  0.1313  0.5000  0.4362  1.0
  K  K2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1584  0.0000  0.2206  1.0
]