data_[Cs10K2Hg8]
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 [24.4689]
_cell_length_b [5.3877]
_cell_length_c [10.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5KHg4]
_chemical_formula_sum '[Cs10 K2 Hg8]'
_cell_volume [1228.6927]
_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  0.1455  0.0000  0.0262  1
  Cs  Cs1  4  0.1954  0.0000  0.6029  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  K  K3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.0507  0.0000  0.2609  1
  Hg  Hg5  4  0.1271  0.5000  0.3103  1
]