data_[Na2In10Hg12]
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 [Immm]
_cell_length_a [4.9816]
_cell_length_b [8.3242]
_cell_length_c [15.0196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NaIn5Hg6]
_chemical_formula_sum '[Na2 In10 Hg12]'
_cell_volume [622.8278]
_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  0.3294  1
  In  In2  4  0.0000  0.5000  0.3345  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  8  0.0000  0.2520  0.1647  1
  Hg  Hg5  4  0.0000  0.2505  0.5000  1
]