data_[Tb3Tl6Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4335]
_cell_length_b [4.4335]
_cell_length_c [20.7792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbTl2Cd]
_chemical_formula_sum '[Tb3 Tl6 Cd3]'
_cell_volume [353.7211]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.6692  1
  Tl  Tl1  3  0.0000  0.0000  0.0896  1
  Tl  Tl2  3  0.0000  0.0000  0.2427  1
  Cd  Cd3  3  0.0000  0.0000  0.4984  1
]