data_[Na2In12Hg12]
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 [Cmmm]
_cell_length_a [6.1173]
_cell_length_b [11.5154]
_cell_length_c [10.1005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na(InHg)6]
_chemical_formula_sum '[Na2 In12 Hg12]'
_cell_volume [711.5169]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.0000  0.3441  1
  In  In2  4  0.0000  0.2985  0.0000  1
  In  In3  4  0.0000  0.3674  0.5000  1
  Hg  Hg4  8  0.2500  0.2500  0.2724  1
  Hg  Hg5  4  0.0000  0.5000  0.1967  1
]