data_[Ba4Hg2Sb2Pd12]
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
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7985]
_cell_length_b [5.7489]
_cell_length_c [9.0717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2HgSbPd6]
_chemical_formula_sum '[Ba4 Hg2 Sb2 Pd12]'
_cell_volume [492.9868]
_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  0.2413  0.5000  0.7041  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  8  0.0179  0.2405  0.7815  1.0
  Pd  Pd4  4  0.2490  0.0000  0.9031  1.0
]