data_[Tb2Hg6Pd12]
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 [P2_1/m]
_cell_length_a [9.3654]
_cell_length_b [4.1607]
_cell_length_c [9.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(HgPd2)3]
_chemical_formula_sum '[Tb2 Hg6 Pd12]'
_cell_volume [365.8536]
_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  2  0.2966  0.7500  0.3339  1.0
  Hg  Hg1  2  0.1029  0.7500  0.9526  1.0
  Hg  Hg2  2  0.1970  0.7500  0.6413  1.0
  Hg  Hg3  2  0.3253  0.2500  0.8510  1.0
  Pd  Pd4  2  0.0108  0.2500  0.7456  1.0
  Pd  Pd5  2  0.0985  0.2500  0.4425  1.0
  Pd  Pd6  2  0.1935  0.2500  0.1448  1.0
  Pd  Pd7  2  0.3951  0.7500  0.0435  1.0
  Pd  Pd8  2  0.4003  0.2500  0.5501  1.0
  Pd  Pd9  2  0.4872  0.2500  0.2506  1.0
]