data_[Tb24Mg8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9931]
_cell_length_b [6.4885]
_cell_length_c [14.9287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3MgHg]
_chemical_formula_sum '[Tb24 Mg8 Hg8]'
_cell_volume [1155.0841]
_cell_formula_units_Z [8]
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  0.0630  0.1079  0.6123  1
  Tb  Tb1  8  0.1707  0.1922  0.2954  1
  Tb  Tb2  8  0.1933  0.3272  0.8979  1
  Mg  Mg3  8  0.0527  0.3839  0.0829  1
  Hg  Hg4  4  0.0000  0.4308  0.7500  1
  Hg  Hg5  4  0.2500  0.2500  0.5000  1
]