data_[Tb16Er2Hg4]
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 [8.8115]
_cell_length_b [14.9471]
_cell_length_c [5.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8ErHg2]
_chemical_formula_sum '[Tb16 Er2 Hg4]'
_cell_volume [682.3276]
_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  8  0.2061  0.8863  0.1056  1
  Tb  Tb1  4  0.0000  0.2238  0.5000  1
  Tb  Tb2  4  0.1024  0.5000  0.2998  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3059  0.0000  1
]