data_[Cd36Hg18Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3997]
_cell_length_b [10.3997]
_cell_length_c [15.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd12Hg6Sb]
_chemical_formula_sum '[Cd36 Hg18 Sb3]'
_cell_volume [1454.6835]
_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
[
  Cd  Cd0  18  0.0331  0.2976  0.0573  1.0
  Cd  Cd1  18  0.0348  0.8450  0.4151  1.0
  Hg  Hg2  18  0.0407  0.8525  0.7740  1.0
  Sb  Sb3  3  0.0000  0.0000  0.0000  1.0
]