data_[Tl6Cd2In2]
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 [3.4329]
_cell_length_b [7.6840]
_cell_length_c [11.6258]
_cell_angle_alpha [100.9898]
_cell_angle_beta [97.5634]
_cell_angle_gamma [102.5019]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl3CdIn]
_chemical_formula_sum '[Tl6 Cd2 In2]'
_cell_volume [289.0822]
_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  2  0.1324  0.2997  0.4586  1
  Tl  Tl1  2  0.1546  0.7396  0.0402  1
  Tl  Tl2  2  0.3957  0.5073  0.7714  1
  Cd  Cd3  2  0.1040  0.9083  0.8163  1
  In  In4  2  0.3739  0.8922  0.3507  1
]