data_[Cs1Rb3Hg8]
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 [P3m1]
_cell_length_a [6.6789]
_cell_length_b [6.6789]
_cell_length_c [11.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsRb3Hg8]
_chemical_formula_sum '[Cs1 Rb3 Hg8]'
_cell_volume [425.8608]
_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  0.0000  0.0000  0.5639  1
  Rb  Rb1  1  0.0000  0.0000  0.9411  1
  Rb  Rb2  1  0.6667  0.3333  0.0629  1
  Rb  Rb3  1  0.6667  0.3333  0.4354  1
  Hg  Hg4  3  0.1635  0.3271  0.2477  1
  Hg  Hg5  3  0.5055  0.0111  0.7529  1
  Hg  Hg6  1  0.3333  0.6667  0.5002  1
  Hg  Hg7  1  0.3333  0.6667  0.9948  1
]