data_[Tb24Cd4Hg10]
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 [12.7673]
_cell_length_b [10.3875]
_cell_length_c [8.2975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb12Cd2Hg5]
_chemical_formula_sum '[Tb24 Cd4 Hg10]'
_cell_volume [1080.6530]
_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  8  0.1038  0.2810  0.8943  1
  Tb  Tb1  8  0.1622  0.1687  0.3017  1
  Tb  Tb2  4  0.0981  0.0000  0.6514  1
  Tb  Tb3  4  0.1063  0.5000  0.2434  1
  Cd  Cd4  4  0.0000  0.2761  0.5000  1
  Hg  Hg5  4  0.1345  0.5000  0.6240  1
  Hg  Hg6  4  0.2330  0.0000  0.9962  1
  Hg  Hg7  2  0.0000  0.0000  0.0000  1
]