data_[Cs1Rb1Hg6]
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-6m2]
_cell_length_a [7.6909]
_cell_length_b [7.6909]
_cell_length_c [5.8260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CsRbHg6]
_chemical_formula_sum '[Cs1 Rb1 Hg6]'
_cell_volume [298.4411]
_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  1  0.3333  0.6667  0.5000  1.0
  Rb  Rb1  1  0.6667  0.3333  0.0000  1.0
  Hg  Hg2  3  0.1408  0.2816  0.0000  1.0
  Hg  Hg3  3  0.2860  0.1430  0.5000  1.0
]