data_[Cs3Rb5Hg3]
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 [P-62m]
_cell_length_a [11.5069]
_cell_length_b [11.5069]
_cell_length_c [7.5312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs3Rb5Hg3]
_chemical_formula_sum '[Cs3 Rb5 Hg3]'
_cell_volume [863.5971]
_cell_formula_units_Z [1]
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  3  0.0000  0.6224  0.0000  1
  Rb  Rb1  3  0.0000  0.2494  0.5000  1
  Rb  Rb2  2  0.3333  0.6667  0.5000  1
  Hg  Hg3  3  0.0000  0.6286  0.5000  1
]