data_[Cs2K2Hg4]
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 [P2_1/m]
_cell_length_a [5.3848]
_cell_length_b [9.1660]
_cell_length_c [9.2942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsKHg2]
_chemical_formula_sum '[Cs2 K2 Hg4]'
_cell_volume [441.8603]
_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  2  0.3973  0.7500  0.7940  1.0
  K  K1  2  0.1355  0.7500  0.2677  1.0
  Hg  Hg2  4  0.2525  0.0833  0.5034  1.0
]