data_[Na2Cd2In4Hg16]
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 [5.6206]
_cell_length_b [9.8279]
_cell_length_c [11.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCd(InHg4)2]
_chemical_formula_sum '[Na2 Cd2 In4 Hg16]'
_cell_volume [626.5822]
_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  0.5000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0333  0.5000  0.7477  1.0
  Hg  Hg3  8  0.0372  0.1661  0.7553  1.0
  Hg  Hg4  4  0.0000  0.3286  0.5000  1.0
  Hg  Hg5  4  0.0000  0.3341  0.0000  1.0
]