data_[Na12In8Hg20]
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 [Ibam]
_cell_length_a [9.2027]
_cell_length_b [12.3191]
_cell_length_c [10.2512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3In2Hg5]
_chemical_formula_sum '[Na12 In8 Hg20]'
_cell_volume [1162.1680]
_cell_formula_units_Z [4]
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  0.2158  0.3820  0.5000  1
  Na  Na1  4  0.0000  0.0000  0.2500  1
  In  In2  8  0.0643  0.8663  0.0000  1
  Hg  Hg3  8  0.0000  0.2500  0.2500  1
  Hg  Hg4  8  0.1230  0.3695  0.0000  1
  Hg  Hg5  4  0.0000  0.5000  0.2500  1
]