data_[Cd6Sn2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.5987]
_cell_length_b [8.5987]
_cell_length_c [5.4775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Cd3SnHg3]
_chemical_formula_sum '[Cd6 Sn2 Hg6]'
_cell_volume [350.7316]
_cell_formula_units_Z [2]
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
[
  Cd  Cd0  6  0.0523  0.8152  0.7500  1.0
  Sn  Sn1  2  0.3333  0.6667  0.7500  1.0
  Hg  Hg2  6  0.0974  0.6366  0.2500  1.0
]