data_[Na4Cd8Sn4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5448]
_cell_length_b [17.1438]
_cell_length_c [15.2323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaCd2SnHg5]
_chemical_formula_sum '[Na4 Cd8 Sn4 Hg20]'
_cell_volume [925.6884]
_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  0.0000  0.4628  0.4049  1
  Cd  Cd1  4  0.0000  0.0767  0.7149  1
  Cd  Cd2  4  0.0000  0.1381  0.3926  1
  Sn  Sn3  4  0.0000  0.2152  0.9820  1
  Hg  Hg4  4  0.0000  0.0570  0.0730  1
  Hg  Hg5  4  0.0000  0.2623  0.6510  1
  Hg  Hg6  4  0.0000  0.2999  0.3074  1
  Hg  Hg7  4  0.0000  0.3931  0.0529  1
  Hg  Hg8  4  0.0000  0.4204  0.7452  1
]