data_[Tl4Cd5In3]
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-1]
_cell_length_a [5.5710]
_cell_length_b [6.0370]
_cell_length_c [10.2649]
_cell_angle_alpha [105.0265]
_cell_angle_beta [91.9549]
_cell_angle_gamma [90.8067]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl4Cd5In3]
_chemical_formula_sum '[Tl4 Cd5 In3]'
_cell_volume [333.1371]
_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  0.2438  0.2152  0.9527  1
  Tl  Tl1  2  0.2569  0.0469  0.6031  1
  Cd  Cd2  2  0.2394  0.1182  0.2505  1
  Cd  Cd3  2  0.2430  0.6349  0.2372  1
  Cd  Cd4  1  0.0000  0.5000  0.5000  1
  In  In5  2  0.2593  0.6533  0.8188  1
  In  In6  1  0.5000  0.5000  0.5000  1
]