data_[Ba24Hg8Pd8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2027]
_cell_length_b [8.6052]
_cell_length_c [14.3853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3HgPd]
_chemical_formula_sum '[Ba24 Hg8 Pd8]'
_cell_volume [1767.7984]
_cell_formula_units_Z [8]
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  8  0.0646  0.2532  0.5607  1
  Ba  Ba1  8  0.1459  0.0618  0.3113  1
  Ba  Ba2  8  0.1716  0.4400  0.8709  1
  Hg  Hg3  8  0.1464  0.3490  0.1324  1
  Pd  Pd4  4  0.0000  0.2186  0.7500  1
  Pd  Pd5  4  0.2500  0.2500  0.5000  1
]