data_[Tb6Ce2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2867]
_cell_length_b [5.2058]
_cell_length_c [11.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3CeHg6]
_chemical_formula_sum '[Tb6 Ce2 Hg12]'
_cell_volume [520.3900]
_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  2  0.2301  0.2500  0.0051  1
  Tb  Tb1  2  0.3522  0.7500  0.8033  1
  Tb  Tb2  2  0.4897  0.2500  0.6132  1
  Ce  Ce3  2  0.0666  0.2500  0.3839  1
  Hg  Hg4  2  0.0631  0.7500  0.9080  1
  Hg  Hg5  2  0.1418  0.7500  0.2063  1
  Hg  Hg6  2  0.1727  0.2500  0.6900  1
  Hg  Hg7  2  0.2498  0.7500  0.5183  1
  Hg  Hg8  2  0.3569  0.2500  0.2922  1
  Hg  Hg9  2  0.4655  0.7500  0.0927  1
]