data_[Na2Cd4In6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  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 [19.0432]
_cell_length_b [3.4716]
_cell_length_c [10.5348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCd2(InHg2)3]
_chemical_formula_sum '[Na2 Cd4 In6 Hg12]'
_cell_volume [629.3333]
_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  0.5000  0.0000  1.0
  Cd  Cd1  4  0.1695  0.0000  0.0052  1.0
  In  In2  4  0.1621  0.0000  0.4966  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  4  0.0047  0.0000  0.7561  1.0
  Hg  Hg5  4  0.1653  0.5000  0.7549  1.0
  Hg  Hg6  4  0.1720  0.5000  0.2528  1.0
]