data_[Tb4Tm16Hg2]
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 [19.1535]
_cell_length_b [5.4654]
_cell_length_c [6.2940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tm8Hg]
_chemical_formula_sum '[Tb4 Tm16 Hg2]'
_cell_volume [655.7348]
_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  0.2443  0.0000  0.3306  1.0
  Tm  Tm1  4  0.0443  0.0000  0.2676  1.0
  Tm  Tm2  4  0.0772  0.5000  0.6049  1.0
  Tm  Tm3  4  0.1552  0.0000  0.8008  1.0
  Tm  Tm4  4  0.1583  0.5000  0.1271  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]