data_[Tb4Tm6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6699]
_cell_length_b [5.2711]
_cell_length_c [22.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb2(TmHg)3]
_chemical_formula_sum '[Tb4 Tm6 Hg6]'
_cell_volume [427.8496]
_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  4  0.0000  0.5000  0.2685  1.0
  Tm  Tm1  4  0.0000  0.0000  0.3796  1.0
  Tm  Tm2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1167  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]