data_[Cs3Cd3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [8.1366]
_cell_length_b [8.1366]
_cell_length_c [8.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [CsCdHg2]
_chemical_formula_sum '[Cs3 Cd3 Hg6]'
_cell_volume [501.2459]
_cell_formula_units_Z [3]
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  0.2854  0.6667  1.0
  Cd  Cd1  3  0.0000  0.2482  0.1667  1.0
  Hg  Hg2  6  0.1907  0.6413  0.0046  1.0
]