data_[Tl9Cd24In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.0563]
_cell_length_b [6.0563]
_cell_length_c [30.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl3Cd8In]
_chemical_formula_sum '[Tl9 Cd24 In3]'
_cell_volume [957.9327]
_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  0.3750  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9994  1.0
  Cd  Cd3  9  0.0009  0.5004  0.4381  1.0
  Cd  Cd4  9  0.1671  0.3342  0.2701  1.0
  Cd  Cd5  3  0.0000  0.0000  0.1875  1.0
  Cd  Cd6  3  0.0000  0.0000  0.6875  1.0
  In  In7  3  0.0000  0.0000  0.8760  1.0
]