data_[Tb24Hg4Rh12]
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 [Cmc2_1]
_cell_length_a [11.2106]
_cell_length_b [12.8220]
_cell_length_c [7.0338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb6HgRh3]
_chemical_formula_sum '[Tb24 Hg4 Rh12]'
_cell_volume [1011.0470]
_cell_formula_units_Z [4]
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  0.1582  0.4694  0.8201  1.0
  Tb  Tb1  8  0.2144  0.2776  0.2150  1.0
  Tb  Tb2  4  0.0000  0.0728  0.3656  1.0
  Tb  Tb3  4  0.0000  0.2077  0.8811  1.0
  Hg  Hg4  4  0.0000  0.3243  0.5046  1.0
  Rh  Rh5  8  0.1671  0.0805  0.0433  1.0
  Rh  Rh6  4  0.0000  0.3868  0.1064  1.0
]