data_[Tl4Cd4In8Br20]
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 [Cmc2_1]
_cell_length_a [4.2752]
_cell_length_b [18.8807]
_cell_length_c [17.3094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TlCdIn2Br5]
_chemical_formula_sum '[Tl4 Cd4 In8 Br20]'
_cell_volume [1397.1913]
_cell_formula_units_Z [4]
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  0.4421  0.4410  1.0
  Cd  Cd1  4  0.0000  0.2512  0.0362  1.0
  In  In2  4  0.0000  0.0641  0.6512  1.0
  In  In3  4  0.0000  0.1477  0.2564  1.0
  Br  Br4  4  0.0000  0.1031  0.0704  1.0
  Br  Br5  4  0.0000  0.2373  0.6497  1.0
  Br  Br6  4  0.0000  0.2666  0.4299  1.0
  Br  Br7  4  0.0000  0.3977  0.0202  1.0
  Br  Br8  4  0.0000  0.4710  0.7690  1.0
]