data_[Na6In8Hg16]
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 [12.6654]
_cell_length_b [11.8890]
_cell_length_c [6.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(InHg2)4]
_chemical_formula_sum '[Na6 In8 Hg16]'
_cell_volume [866.7781]
_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  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.2500  0.2500  0.5000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.2521  0.5000  1.0
  Hg  Hg6  4  0.0000  0.2630  0.0000  1.0
  Hg  Hg7  4  0.1496  0.5000  0.0400  1.0
  Hg  Hg8  4  0.2451  0.0000  0.4305  1.0
]