data_[Na4Hg8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.8461]
_cell_length_b [3.9937]
_cell_length_c [8.9324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHg2Pd3]
_chemical_formula_sum '[Na4 Hg8 Pd12]'
_cell_volume [504.8084]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.1387  0.0000  0.9833  1.0
  Hg  Hg1  4  0.0343  0.5000  0.1738  1.0
  Hg  Hg2  4  0.2236  0.0000  0.7291  1.0
  Pd  Pd3  4  0.0509  0.0000  0.4089  1.0
  Pd  Pd4  4  0.0846  0.5000  0.6610  1.0
  Pd  Pd5  4  0.1876  0.5000  0.4807  1.0
]