data_[Tl4Cd4Br10]
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 [15.2580]
_cell_length_b [5.7971]
_cell_length_c [8.1828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd2Br5]
_chemical_formula_sum '[Tl4 Cd4 Br10]'
_cell_volume [652.8442]
_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  0.1120  0.5000  0.2983  1.0
  Cd  Cd1  4  0.1417  0.0000  0.8647  1.0
  Br  Br2  4  0.1474  0.5000  0.8992  1.0
  Br  Br3  4  0.1512  0.0000  0.5380  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]