data_[Tb24Ni8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3018]
_cell_length_b [9.7591]
_cell_length_c [10.0935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6Ni2Hg]
_chemical_formula_sum '[Tb24 Ni8 Hg4]'
_cell_volume [916.2615]
_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  0.0000  0.1993  0.2332  1.0
  Tb  Tb1  8  0.1924  0.5000  0.1749  1.0
  Tb  Tb2  8  0.2082  0.3182  0.5000  1.0
  Ni  Ni3  4  0.0000  0.3559  0.0000  1.0
  Ni  Ni4  4  0.0000  0.5000  0.3770  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]