data_[In18Hg3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9981]
_cell_length_b [11.9981]
_cell_length_c [8.3623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6HgPd12]
_chemical_formula_sum '[In18 Hg3 Pd36]'
_cell_volume [1042.5107]
_cell_formula_units_Z [3]
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
[
  In  In0  18  0.0475  0.2154  0.7428  1
  Hg  Hg1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0477  0.2435  0.0768  1
  Pd  Pd3  18  0.0614  0.2355  0.4193  1
]