data_[Tb3Cd21Hg36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.2939]
_cell_length_b [13.2939]
_cell_length_c [10.6465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TbCd7Hg12]
_chemical_formula_sum '[Tb3 Cd21 Hg36]'
_cell_volume [1629.4649]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0114  0.8639  0.7475  1.0
  Cd  Cd2  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  18  0.0502  0.7954  0.4292  1.0
  Hg  Hg4  18  0.0546  0.2586  0.9627  1.0
]