data_[Cs6K4Hg8]
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 [14.3839]
_cell_length_b [5.3734]
_cell_length_c [12.6439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(KHg2)2]
_chemical_formula_sum '[Cs6 K4 Hg8]'
_cell_volume [972.2509]
_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  0.1287  0.5000  0.3754  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  K  K2  4  0.1715  0.5000  0.7755  1.0
  Hg  Hg3  4  0.0765  0.0000  0.5957  1.0
  Hg  Hg4  4  0.2223  0.5000  0.0596  1.0
]