data_[Tl4Ag4Sb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2605]
_cell_length_b [12.9996]
_cell_length_c [10.7028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgSbBr5]
_chemical_formula_sum '[Tl4 Ag4 Sb4 Br20]'
_cell_volume [1191.1500]
_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  0.3558  0.7500  1.0
  Ag  Ag1  4  0.0000  0.3056  0.2500  1.0
  Sb  Sb2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1128  0.1997  0.0930  1.0
  Br  Br4  8  0.1863  0.4404  0.4403  1.0
  Br  Br5  4  0.0000  0.0772  0.7500  1.0
]