data_[Tl4Ag4Bi4Br20]
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
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2762]
_cell_length_b [13.1540]
_cell_length_c [10.7166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgBiBr5]
_chemical_formula_sum '[Tl4 Ag4 Bi4 Br20]'
_cell_volume [1212.1754]
_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  0.3610  0.2500  1.0
  Ag  Ag1  4  0.0000  0.3093  0.7500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1193  0.1985  0.6018  1.0
  Br  Br4  8  0.1820  0.4393  0.9447  1.0
  Br  Br5  4  0.0000  0.0873  0.2500  1.0
]