data_[Tb16Hg2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2580]
_cell_length_b [5.2079]
_cell_length_c [7.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8HgBi2]
_chemical_formula_sum '[Tb16 Hg2 Bi4]'
_cell_volume [665.1363]
_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  0.0304  0.0000  0.7484  1.0
  Tb  Tb1  4  0.0907  0.5000  0.4377  1.0
  Tb  Tb2  4  0.1638  0.5000  0.9102  1.0
  Tb  Tb3  4  0.2124  0.0000  0.6162  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1592  0.0000  0.1700  1.0
]