data_[Tb12Hg4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0602]
_cell_length_b [11.2637]
_cell_length_c [5.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3HgO6]
_chemical_formula_sum '[Tb12 Hg4 O24]'
_cell_volume [579.6936]
_cell_formula_units_Z [4]
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  0.2044  0.1142  0.0320  1.0
  Tb  Tb1  4  0.0000  0.3998  0.0880  1.0
  Hg  Hg2  4  0.0000  0.1570  0.5279  1.0
  O  O3  8  0.1593  0.4819  0.8105  1.0
  O  O4  8  0.1637  0.2650  0.2970  1.0
  O  O5  4  0.0000  0.0234  0.2403  1.0
  O  O6  4  0.0000  0.2196  0.8794  1.0
]