data_[Tb20Fe8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.5659]
_cell_length_b [7.2784]
_cell_length_c [7.3687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(FeHg)2]
_chemical_formula_sum '[Tb20 Fe8 Hg8]'
_cell_volume [888.4695]
_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  16  0.1236  0.1825  0.3188  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Fe  Fe2  8  0.0000  0.1031  0.6072  1
  Hg  Hg3  8  0.2223  0.0000  0.0000  1
]