data_[Cs12Ag4Hg4]
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 [21.7168]
_cell_length_b [5.2105]
_cell_length_c [11.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3AgHg]
_chemical_formula_sum '[Cs12 Ag4 Hg4]'
_cell_volume [1261.9496]
_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  0.0694  0.0000  0.3307  1.0
  Cs  Cs1  4  0.1035  0.5000  0.9549  1.0
  Cs  Cs2  4  0.2194  0.0000  0.7055  1.0
  Ag  Ag3  4  0.2286  0.0000  0.0420  1.0
  Hg  Hg4  4  0.0591  0.5000  0.5913  1.0
]