data_[Tb8Cd6Hg10]
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 [C2/m]
_cell_length_a [12.0426]
_cell_length_b [5.4433]
_cell_length_c [10.3663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Cd3Hg5]
_chemical_formula_sum '[Tb8 Cd6 Hg10]'
_cell_volume [673.1683]
_cell_formula_units_Z [2]
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  4  0.1542  0.5000  0.0123  1
  Tb  Tb1  4  0.1568  0.0000  0.2682  1
  Cd  Cd2  4  0.2476  0.5000  0.4206  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  4  0.0191  0.5000  0.2325  1
  Hg  Hg5  4  0.0927  0.0000  0.8859  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]