data_[Na10Cd4Hg10]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2216]
_cell_length_b [5.0213]
_cell_length_c [9.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Cd2Hg5]
_chemical_formula_sum '[Na10 Cd4 Hg10]'
_cell_volume [649.9428]
_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
[
  Na  Na0  4  0.0986  0.5000  0.2756  1.0
  Na  Na1  4  0.1811  0.5000  0.0154  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  4  0.1518  0.0000  0.5441  1.0
  Hg  Hg4  4  0.0679  0.0000  0.7635  1.0
  Hg  Hg5  4  0.2372  0.0000  0.2815  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]