data_[Sn2Hg4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [8.8414]
_cell_length_b [4.2307]
_cell_length_c [8.5520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(HgPd3)2]
_chemical_formula_sum '[Sn2 Hg4 Pd12]'
_cell_volume [311.8203]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.1912  0.5000  0.7448  1.0
  Pd  Pd2  4  0.0135  0.0000  0.8325  1.0
  Pd  Pd3  4  0.1531  0.5000  0.3980  1.0
  Pd  Pd4  4  0.1568  0.5000  0.0570  1.0
]