data_[Cd4In2Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8060]
_cell_length_b [3.8060]
_cell_length_c [31.6919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd4In2Hg9]
_chemical_formula_sum '[Cd4 In2 Hg9]'
_cell_volume [397.5812]
_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
[
  Cd  Cd0  2  0.3333  0.6667  0.3669  1
  Cd  Cd1  2  0.3333  0.6667  0.0997  1
  In  In2  2  0.3333  0.6667  0.7669  1
  Hg  Hg3  2  0.0000  0.0000  0.1645  1
  Hg  Hg4  2  0.0000  0.0000  0.3021  1
  Hg  Hg5  2  0.3333  0.6667  0.5676  1
  Hg  Hg6  2  0.3333  0.6667  0.9659  1
  Hg  Hg7  1  0.0000  0.0000  0.5000  1
]