data_[Cd36In18Hg3]
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 [R-3]
_cell_length_a [12.4274]
_cell_length_b [12.4274]
_cell_length_c [10.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd12In6Hg]
_chemical_formula_sum '[Cd36 In18 Hg3]'
_cell_volume [1463.9209]
_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  0.0192  0.2572  0.0123  1.0
  Cd  Cd1  18  0.0677  0.5050  0.1201  1.0
  In  In2  18  0.0592  0.1722  0.7388  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
]