data_[Tl4Cd4Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2516]
_cell_length_b [12.8347]
_cell_length_c [7.0600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd2Br7]
_chemical_formula_sum '[Tl4 Cd4 Br14]'
_cell_volume [915.1690]
_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  0.2992  0.0000  1.0
  Cd  Cd1  4  0.2453  0.0000  0.4134  1.0
  Br  Br2  8  0.2467  0.3252  0.7785  1.0
  Br  Br3  4  0.0929  0.5000  0.2538  1.0
  Br  Br4  2  0.0000  0.0000  0.5000  1.0
]