data_[Tl4Ag2Bi2Br12]
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 [P2_1/c]
_cell_length_a [7.6477]
_cell_length_b [8.1282]
_cell_length_c [13.3704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2AgBiBr6]
_chemical_formula_sum '[Tl4 Ag2 Bi2 Br12]'
_cell_volume [685.8647]
_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  0.2800  0.0835  0.2510  1.0
  Ag  Ag1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1506  0.0206  0.7527  1.0
  Br  Br4  4  0.2380  0.6985  0.5474  1.0
  Br  Br5  4  0.3577  0.1950  0.5499  1.0
]