data_[Na16Sn2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1796]
_cell_length_b [10.5421]
_cell_length_c [6.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na8SnHg3]
_chemical_formula_sum '[Na16 Sn2 Hg6]'
_cell_volume [748.1039]
_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  0.0669  0.2889  0.9853  1
  Na  Na1  4  0.1643  0.1824  0.5725  1
  Na  Na2  2  0.1156  0.5000  0.5401  1
  Na  Na3  2  0.3554  0.0000  0.0538  1
  Na  Na4  2  0.3671  0.5000  0.1092  1
  Na  Na5  2  0.4268  0.5000  0.6465  1
  Sn  Sn6  2  0.1434  0.0000  0.1672  1
  Hg  Hg7  4  0.3680  0.2421  0.3639  1
  Hg  Hg8  2  0.3932  0.0000  0.6396  1
]