data_[Tb16Tm4Hg2]
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 [19.1627]
_cell_length_b [5.5580]
_cell_length_c [6.3949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tm2Hg]
_chemical_formula_sum '[Tb16 Tm4 Hg2]'
_cell_volume [678.7500]
_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  0.0430  0.0000  0.2634  1.0
  Tb  Tb1  4  0.0793  0.5000  0.6001  1.0
  Tb  Tb2  4  0.1562  0.0000  0.7976  1.0
  Tb  Tb3  4  0.1598  0.5000  0.1208  1.0
  Tm  Tm4  4  0.2412  0.0000  0.3341  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]