data_[Hg2Pd6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3794]
_cell_length_b [10.4555]
_cell_length_c [3.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hg(PdO2)3]
_chemical_formula_sum '[Hg2 Pd6 O12]'
_cell_volume [245.8941]
_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
[
  Hg  Hg0  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.2500  0.2500  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.2028  0.1286  0.0000  1.0
  O  O4  4  0.0000  0.3310  0.5000  1.0
]