data_[Tb20Co8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2949]
_cell_length_b [7.2418]
_cell_length_c [7.4166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(CoHg)2]
_chemical_formula_sum '[Tb20 Co8 Hg8]'
_cell_volume [875.1899]
_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  0.1212  0.1805  0.6805  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  8  0.0000  0.1070  0.3873  1.0
  Hg  Hg3  8  0.2204  0.0000  0.0000  1.0
]