data_[Tl3Zn3Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2681]
_cell_length_b [3.2681]
_cell_length_c [31.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlZnCd2]
_chemical_formula_sum '[Tl3 Zn3 Cd6]'
_cell_volume [290.0035]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.5002  1.0
  Zn  Zn1  3  0.0000  0.0000  0.3329  1.0
  Cd  Cd2  3  0.0000  0.0000  0.7396  1.0
  Cd  Cd3  3  0.0000  0.0000  0.9272  1.0
]