data_[Tl6Cd8In4]
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 [C2/m]
_cell_length_a [12.1312]
_cell_length_b [5.0911]
_cell_length_c [9.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(Cd2In)2]
_chemical_formula_sum '[Tl6 Cd8 In4]'
_cell_volume [514.0102]
_cell_formula_units_Z [2]
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  4  0.1594  0.5000  0.6793  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0686  0.0000  0.4075  1.0
  Cd  Cd3  4  0.2146  0.5000  0.0480  1.0
  In  In4  4  0.1187  0.5000  0.2817  1.0
]