data_[Na4Tl8Cd4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1423]
_cell_length_b [17.6960]
_cell_length_c [14.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2CdCl5]
_chemical_formula_sum '[Na4 Tl8 Cd4 Cl20]'
_cell_volume [1074.5033]
_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  0.4519  1.0
  Tl  Tl1  4  0.0000  0.0866  0.6623  1.0
  Tl  Tl2  4  0.0000  0.1396  0.2955  1.0
  Cd  Cd3  4  0.0000  0.2211  0.0244  1.0
  Cl  Cl4  4  0.0000  0.0731  0.0597  1.0
  Cl  Cl5  4  0.0000  0.2673  0.6484  1.0
  Cl  Cl6  4  0.0000  0.3034  0.4080  1.0
  Cl  Cl7  4  0.0000  0.3676  0.9941  1.0
  Cl  Cl8  4  0.0000  0.4929  0.7797  1.0
]