data_[Na4In6Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9455]
_cell_length_b [10.6463]
_cell_length_c [5.4312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In3Hg8]
_chemical_formula_sum '[Na4 In6 Hg16]'
_cell_volume [708.5073]
_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  0.2025  0.5000  0.3495  1.0
  In  In1  4  0.0000  0.2460  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.1595  0.2449  0.6409  1.0
  Hg  Hg4  4  0.0711  0.5000  0.7808  1.0
  Hg  Hg5  4  0.1543  0.0000  0.0766  1.0
]