data_[Na1Cd1In2Hg6]
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 [P1]
_cell_length_a [5.1725]
_cell_length_b [6.5259]
_cell_length_c [7.9990]
_cell_angle_alpha [94.5430]
_cell_angle_beta [105.7600]
_cell_angle_gamma [95.1115]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCd(InHg3)2]
_chemical_formula_sum '[Na1 Cd1 In2 Hg6]'
_cell_volume [257.3102]
_cell_formula_units_Z [1]
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  1  0.6420  0.6966  0.2749  1
  Cd  Cd1  1  0.4409  0.2760  0.8636  1
  In  In2  1  0.0310  0.9803  0.0610  1
  In  In3  1  0.2191  0.4049  0.4673  1
  Hg  Hg4  1  0.0399  0.4792  0.0643  1
  Hg  Hg5  1  0.2408  0.9054  0.4683  1
  Hg  Hg6  1  0.4292  0.7695  0.8744  1
  Hg  Hg7  1  0.6238  0.1952  0.2594  1
  Hg  Hg8  1  0.8178  0.5649  0.6637  1
  Hg  Hg9  1  0.8388  0.0664  0.6647  1
]