data_[Cs12Rb4Hg4]
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 [Pnma]
_cell_length_a [9.2221]
_cell_length_b [13.3884]
_cell_length_c [13.2595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs3RbHg]
_chemical_formula_sum '[Cs12 Rb4 Hg4]'
_cell_volume [1637.1476]
_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  8  0.1370  0.0381  0.8192  1.0
  Cs  Cs1  4  0.2268  0.7500  0.6125  1.0
  Rb  Rb2  4  0.2179  0.2500  0.5284  1.0
  Hg  Hg3  4  0.0000  0.0000  0.5000  1.0
]