data_[Tb2Tm4Hg16]
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 [C2/m]
_cell_length_a [15.9366]
_cell_length_b [4.8919]
_cell_length_c [7.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(TmHg4)2]
_chemical_formula_sum '[Tb2 Tm4 Hg16]'
_cell_volume [532.9890]
_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
  Tm  Tm1  4  0.2174  0.0000  0.6557  1
  Hg  Hg2  4  0.0334  0.0000  0.7314  1
  Hg  Hg3  4  0.0983  0.5000  0.4590  1
  Hg  Hg4  4  0.1486  0.0000  0.1915  1
  Hg  Hg5  4  0.1753  0.5000  0.9051  1
]