data_[Na4Tl4Cd8Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3787]
_cell_length_b [17.4501]
_cell_length_c [16.3552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTlCd2Hg5]
_chemical_formula_sum '[Na4 Tl4 Cd8 Hg20]'
_cell_volume [964.2719]
_cell_formula_units_Z [4]
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  0.4612  0.4020  1.0
  Tl  Tl1  4  0.0000  0.2159  0.9940  1.0
  Cd  Cd2  4  0.0000  0.0896  0.7113  1.0
  Cd  Cd3  4  0.0000  0.1343  0.3804  1.0
  Hg  Hg4  4  0.0000  0.0500  0.0691  1.0
  Hg  Hg5  4  0.0000  0.2708  0.6676  1.0
  Hg  Hg6  4  0.0000  0.2970  0.3143  1.0
  Hg  Hg7  4  0.0000  0.3934  0.0449  1.0
  Hg  Hg8  4  0.0000  0.4350  0.7403  1.0
]