data_[Tb2Er4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7077]
_cell_length_b [4.9903]
_cell_length_c [7.3597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(ErHg4)2]
_chemical_formula_sum '[Tb2 Er4 Hg16]'
_cell_volume [540.3509]
_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  0.0000  0.5000  0.0000  1.0
  Er  Er1  4  0.2168  0.0000  0.6551  1.0
  Hg  Hg2  4  0.0317  0.0000  0.7312  1.0
  Hg  Hg3  4  0.0976  0.5000  0.4577  1.0
  Hg  Hg4  4  0.1492  0.0000  0.1896  1.0
  Hg  Hg5  4  0.1747  0.5000  0.9030  1.0
]