data_[Rb12Tl36Hg6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7915]
_cell_length_b [7.7915]
_cell_length_c [40.5258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Tl6HgPd]
_chemical_formula_sum '[Rb12 Tl36 Hg6 Pd6]'
_cell_volume [2130.5918]
_cell_formula_units_Z [6]
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
[
  Rb  Rb0  6  0.0000  0.0000  0.1015  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2761  1.0
  Tl  Tl2  18  0.0523  0.5261  0.8605  1.0
  Tl  Tl3  18  0.0527  0.5263  0.3062  1.0
  Hg  Hg4  6  0.0000  0.0000  0.4273  1.0
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd6  3  0.0000  0.0000  0.0000  1.0
]