data_[Rb4Hg12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3943]
_cell_length_b [7.0270]
_cell_length_c [6.6750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbHg3Pd]
_chemical_formula_sum '[Rb4 Hg12 Pd4]'
_cell_volume [613.3323]
_cell_formula_units_Z [4]
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  2  0.2343  0.5000  0.9401  1.0
  Rb  Rb1  2  0.4975  0.5000  0.5615  1.0
  Hg  Hg2  4  0.2370  0.2701  0.4256  1.0
  Hg  Hg3  4  0.4949  0.2272  0.0891  1.0
  Hg  Hg4  2  0.2581  0.0000  0.8159  1.0
  Hg  Hg5  2  0.4613  0.0000  0.6391  1.0
  Pd  Pd6  2  0.1441  0.0000  0.1217  1.0
  Pd  Pd7  2  0.3542  0.0000  0.2326  1.0
]