data_[Tm24Hg2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.7843]
_cell_length_b [9.7843]
_cell_length_c [9.7843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Tm12HgPd6]
_chemical_formula_sum '[Tm24 Hg2 Pd12]'
_cell_volume [936.6620]
_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
[
  Tm  Tm0  24  0.0000  0.2938  0.1823  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  12  0.0000  0.1386  0.5000  1
]