data_[Cs4Ag4Hg12]
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 [Cmcm]
_cell_length_a [7.6559]
_cell_length_b [11.8951]
_cell_length_c [7.3697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsAgHg3]
_chemical_formula_sum '[Cs4 Ag4 Hg12]'
_cell_volume [671.1448]
_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  0.0000  0.2655  0.2500  1.0
  Ag  Ag1  4  0.0000  0.1357  0.7500  1.0
  Hg  Hg2  8  0.2179  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.3780  0.7500  1.0
]