data_[Cd36Hg18Bi3]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.5029]
_cell_length_b [10.5029]
_cell_length_c [15.2436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd12Hg6Bi]
_chemical_formula_sum '[Cd36 Hg18 Bi3]'
_cell_volume [1456.2394]
_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  0.0272  0.7248  0.0568  1.0
  Cd  Cd1  18  0.0281  0.1863  0.4149  1.0
  Hg  Hg2  18  0.0339  0.1850  0.7740  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0000  1.0
]