data_[Cs16Rb2Hg4]
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 [12.6923]
_cell_length_b [18.7515]
_cell_length_c [7.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8RbHg2]
_chemical_formula_sum '[Cs16 Rb2 Hg4]'
_cell_volume [1857.9973]
_cell_formula_units_Z [2]
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  0.1975  0.1368  0.0825  1
  Cs  Cs1  4  0.0000  0.2598  0.5000  1
  Cs  Cs2  4  0.1044  0.5000  0.2819  1
  Rb  Rb3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3158  0.0000  1
]