data_[Cs4Ag4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7976]
_cell_length_b [8.3457]
_cell_length_c [5.3492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAgHg4]
_chemical_formula_sum '[Cs4 Ag4 Hg16]'
_cell_volume [875.4666]
_cell_formula_units_Z [4]
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  0.1884  0.0000  0.2154  1.0
  Ag  Ag1  4  0.0203  0.5000  0.2595  1.0
  Hg  Hg2  8  0.1108  0.2943  0.6698  1.0
  Hg  Hg3  4  0.0000  0.1784  0.0000  1.0
  Hg  Hg4  4  0.1691  0.5000  0.2095  1.0
]