data_[Cs5K3Hg3]
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 [P-62m]
_cell_length_a [11.9053]
_cell_length_b [11.9053]
_cell_length_c [6.8756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs5(KHg)3]
_chemical_formula_sum '[Cs5 K3 Hg3]'
_cell_volume [843.9571]
_cell_formula_units_Z [1]
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  3  0.0000  0.7550  0.5000  1
  Cs  Cs1  2  0.3333  0.6667  0.5000  1
  K  K2  3  0.0000  0.4122  0.0000  1
  Hg  Hg3  3  0.0000  0.3758  0.5000  1
]