data_[Cs12Rb4Hg8]
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 [22.1255]
_cell_length_b [5.7758]
_cell_length_c [14.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3RbHg2]
_chemical_formula_sum '[Cs12 Rb4 Hg8]'
_cell_volume [1686.7215]
_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  0.0532  0.0000  0.2172  1.0
  Cs  Cs1  4  0.1631  0.5000  0.0277  1.0
  Cs  Cs2  4  0.2151  0.0000  0.6070  1.0
  Rb  Rb3  4  0.0702  0.5000  0.6555  1.0
  Hg  Hg4  4  0.1154  0.5000  0.4211  1.0
  Hg  Hg5  4  0.1413  0.0000  0.8338  1.0
]