data_[Ba12Hg4Pd2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/c]
_cell_length_a [7.9937]
_cell_length_b [8.5185]
_cell_length_c [13.8028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2PdO]
_chemical_formula_sum '[Ba12 Hg4 Pd2 O2]'
_cell_volume [780.3262]
_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
[
  Ba  Ba0  4  0.1318  0.5203  0.2324  1.0
  Ba  Ba1  4  0.2231  0.2028  0.0503  1.0
  Ba  Ba2  4  0.3498  0.6815  0.0513  1.0
  Hg  Hg3  4  0.2858  0.5889  0.7511  1.0
  Pd  Pd4  2  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]