data_[Tl4Cd2In4Br12]
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 [C2/m]
_cell_length_a [8.5768]
_cell_length_b [12.6777]
_cell_length_c [7.9623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd(InBr3)2]
_chemical_formula_sum '[Tl4 Cd2 In4 Br12]'
_cell_volume [831.8198]
_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  0.0000  0.1888  0.0000  1
  Cd  Cd1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.0000  0.3524  0.5000  1
  Br  Br3  8  0.2050  0.1587  0.7021  1
  Br  Br4  4  0.1786  0.0000  0.2519  1
]