data_[Na24Sn8Hg8]
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 [C2/c]
_cell_length_a [11.2273]
_cell_length_b [14.8243]
_cell_length_c [7.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3SnHg]
_chemical_formula_sum '[Na24 Sn8 Hg8]'
_cell_volume [1137.0938]
_cell_formula_units_Z [8]
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  8  0.1168  0.1867  0.0303  1
  Na  Na1  8  0.1611  0.4681  0.0342  1
  Na  Na2  8  0.1773  0.1458  0.5363  1
  Sn  Sn3  4  0.0000  0.0128  0.7500  1
  Sn  Sn4  4  0.0000  0.3452  0.2500  1
  Hg  Hg5  8  0.1119  0.3343  0.6819  1
]