data_[Tl6Cd2In1]
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 [P-6m2]
_cell_length_a [3.4825]
_cell_length_b [3.4825]
_cell_length_c [25.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tl6Cd2In]
_chemical_formula_sum '[Tl6 Cd2 In1]'
_cell_volume [266.9304]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2252  1.0
  Tl  Tl1  2  0.0000  0.0000  0.4364  1.0
  Tl  Tl2  2  0.3333  0.6667  0.1087  1.0
  Cd  Cd3  2  0.3333  0.6667  0.6683  1.0
  In  In4  1  0.0000  0.0000  0.0000  1.0
]