data_[Th3Tl6Cd3]
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 [R3m]
_cell_length_a [4.9980]
_cell_length_b [4.9980]
_cell_length_c [15.6509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ThTl2Cd]
_chemical_formula_sum '[Th3 Tl6 Cd3]'
_cell_volume [338.5839]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5042  1
  Tl  Tl1  3  0.0000  0.0000  0.7406  1
  Tl  Tl2  3  0.0000  0.0000  0.9884  1
  Cd  Cd3  3  0.0000  0.0000  0.2668  1
]