data_[Na32Sn2Hg24]
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 [11.6967]
_cell_length_b [16.0440]
_cell_length_c [10.1243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na16SnHg12]
_chemical_formula_sum '[Na32 Sn2 Hg24]'
_cell_volume [1568.0561]
_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  0.0621  0.3459  0.4127  1
  Na  Na1  4  0.1539  0.1500  0.5834  1
  Na  Na2  4  0.1742  0.1752  0.9979  1
  Na  Na3  4  0.2885  0.3054  0.3082  1
  Na  Na4  4  0.4641  0.1255  0.0142  1
  Na  Na5  4  0.4820  0.2055  0.6827  1
  Na  Na6  2  0.0148  0.0000  0.0131  1
  Na  Na7  2  0.1884  0.5000  0.6747  1
  Na  Na8  2  0.4110  0.0000  0.7026  1
  Na  Na9  2  0.4632  0.5000  0.3152  1
  Sn  Sn10  2  0.1898  0.5000  0.3253  1
  Hg  Hg11  4  0.2091  0.4071  0.9804  1
  Hg  Hg12  4  0.2709  0.0994  0.3682  1
  Hg  Hg13  4  0.3163  0.3014  0.8098  1
  Hg  Hg14  4  0.4178  0.4008  0.6392  1
  Hg  Hg15  4  0.4956  0.3114  0.1870  1
  Hg  Hg16  2  0.1976  0.0000  0.8192  1
  Hg  Hg17  2  0.3664  0.0000  0.1828  1
]