data_[Tb9Cu24Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1700]
_cell_length_b [5.1700]
_cell_length_c [25.4724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3Cu8Hg]
_chemical_formula_sum '[Tb9 Cu24 Hg3]'
_cell_volume [589.6375]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0069  1.0
  Tb  Tb1  3  0.0000  0.0000  0.4942  1.0
  Tb  Tb2  3  0.0000  0.0000  0.6211  1.0
  Cu  Cu3  9  0.0020  0.5010  0.5628  1.0
  Cu  Cu4  9  0.1701  0.3403  0.3953  1.0
  Cu  Cu5  3  0.0000  0.0000  0.3132  1.0
  Cu  Cu6  3  0.0000  0.0000  0.8116  1.0
  Hg  Hg7  3  0.0000  0.0000  0.1286  1.0
]