data_[Ba3Na2Hg4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9120]
_cell_length_b [4.9120]
_cell_length_c [17.4725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Na2(Hg2Pd)2]
_chemical_formula_sum '[Ba3 Na2 Hg4 Pd2]'
_cell_volume [365.0928]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2459  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.3333  0.6667  0.4405  1.0
  Hg  Hg3  2  0.3333  0.6667  0.1252  1.0
  Hg  Hg4  2  0.3333  0.6667  0.6319  1.0
  Pd  Pd5  2  0.3333  0.6667  0.8708  1.0
]