data_[Na8Ca4Tl16Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1557]
_cell_length_b [11.3516]
_cell_length_c [16.4739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2CaTl4Cd]
_chemical_formula_sum '[Na8 Ca4 Tl16 Cd4]'
_cell_volume [964.1501]
_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  8  0.0000  0.2882  0.5740  1.0
  Ca  Ca1  4  0.0000  0.0703  0.7500  1.0
  Tl  Tl2  8  0.0000  0.4115  0.1052  1.0
  Tl  Tl3  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  4  0.0000  0.3959  0.7500  1.0
  Cd  Cd5  4  0.0000  0.2327  0.2500  1.0
]