data_[Th8Tl8Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9198]
_cell_length_b [17.6654]
_cell_length_c [6.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2Tl2Cd]
_chemical_formula_sum '[Th8 Tl8 Cd4]'
_cell_volume [578.0263]
_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
[
  Th  Th0  4  0.0000  0.0089  0.7021  1
  Th  Th1  4  0.0000  0.1988  0.1423  1
  Tl  Tl2  4  0.0000  0.1881  0.6340  1
  Tl  Tl3  4  0.0000  0.4080  0.4551  1
  Cd  Cd4  4  0.0000  0.3932  0.9321  1
]