data_[Cs4Rb4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3760]
_cell_length_b [4.7291]
_cell_length_c [9.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbHg]
_chemical_formula_sum '[Cs4 Rb4 Hg4]'
_cell_volume [743.8139]
_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  0.1328  0.0000  0.5701  1
  Rb  Rb1  4  0.1301  0.0000  0.0642  1
  Hg  Hg2  4  0.0002  0.5000  0.7571  1
]