data_[Na4Cd1Hg3]
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 [Pmm2]
_cell_length_a [3.5291]
_cell_length_b [5.0413]
_cell_length_c [12.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Na4CdHg3]
_chemical_formula_sum '[Na4 Cd1 Hg3]'
_cell_volume [218.0002]
_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  0.0000  0.0000  0.1648  1.0
  Na  Na1  1  0.0000  0.5000  0.8354  1.0
  Na  Na2  1  0.5000  0.0000  0.6623  1.0
  Na  Na3  1  0.5000  0.5000  0.3395  1.0
  Cd  Cd4  1  0.5000  0.5000  0.0681  1.0
  Hg  Hg5  1  0.0000  0.0000  0.4274  1.0
  Hg  Hg6  1  0.0000  0.5000  0.5741  1.0
  Hg  Hg7  1  0.5000  0.0000  0.9285  1.0
]