data_[Na4Cd4Hg14]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6798]
_cell_length_b [14.7163]
_cell_length_c [11.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na2Cd2Hg7]
_chemical_formula_sum '[Na4 Cd4 Hg14]'
_cell_volume [600.9809]
_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  4  0.0000  0.2963  0.3890  1.0
  Cd  Cd1  2  0.0000  0.0000  0.2440  1.0
  Cd  Cd2  2  0.0000  0.5000  0.2337  1.0
  Hg  Hg3  4  0.0000  0.1502  0.6494  1.0
  Hg  Hg4  4  0.0000  0.1787  0.1284  1.0
  Hg  Hg5  4  0.0000  0.3882  0.9158  1.0
  Hg  Hg6  2  0.0000  0.5000  0.5031  1.0
]