data_[Tb16Hg4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8278]
_cell_length_b [5.2176]
_cell_length_c [6.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Hg2Rh]
_chemical_formula_sum '[Tb16 Hg4 Rh2]'
_cell_volume [615.2276]
_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  0.0238  0.0000  0.7802  1.0
  Tb  Tb1  4  0.0879  0.5000  0.4336  1.0
  Tb  Tb2  4  0.1531  0.5000  0.9608  1.0
  Tb  Tb3  4  0.2004  0.0000  0.3082  1.0
  Hg  Hg4  4  0.1893  0.0000  0.7318  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]