data_[Tl1Cd1In1Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.1834]
_cell_length_b [7.1834]
_cell_length_c [7.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [TlCdInBr6]
_chemical_formula_sum '[Tl1 Cd1 In1 Br6]'
_cell_volume [326.8168]
_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  1  0.6667  0.3333  0.0000  1.0
  Cd  Cd1  1  0.3333  0.6667  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.0316  0.3242  0.2828  1.0
]