data_[Tb2Hg4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7608]
_cell_length_b [6.8473]
_cell_length_c [7.8244]
_cell_angle_alpha [108.4558]
_cell_angle_beta [110.2414]
_cell_angle_gamma [100.5377]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tb(HgPd2)2]
_chemical_formula_sum '[Tb2 Hg4 Pd8]'
_cell_volume [259.4361]
_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  1  0.1038  0.9128  0.0202  1.0
  Tb  Tb1  1  0.3371  0.6405  0.6152  1.0
  Hg  Hg2  1  0.4869  0.7685  0.3156  1.0
  Hg  Hg3  1  0.5587  0.3393  0.1806  1.0
  Hg  Hg4  1  0.6991  0.4604  0.8917  1.0
  Hg  Hg5  1  0.9287  0.1914  0.4811  1.0
  Pd  Pd6  1  0.0541  0.3394  0.1828  1.0
  Pd  Pd7  1  0.2022  0.4908  0.8970  1.0
  Pd  Pd8  1  0.2630  0.0479  0.7491  1.0
  Pd  Pd9  1  0.4174  0.1989  0.4622  1.0
  Pd  Pd10  1  0.6209  0.9194  0.0364  1.0
  Pd  Pd11  1  0.7598  0.0455  0.7441  1.0
  Pd  Pd12  1  0.8294  0.6169  0.6020  1.0
  Pd  Pd13  1  0.9890  0.7783  0.3220  1.0
]