data_[Tl4Ag2Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.8411]
_cell_length_b [11.2843]
_cell_length_c [7.9793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2AgSnBr6]
_chemical_formula_sum '[Tl4 Ag2 Sn2 Br12]'
_cell_volume [706.0236]
_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  0.3008  0.8025  1.0
  Ag  Ag1  2  0.0000  0.5000  0.2658  1.0
  Sn  Sn2  2  0.0000  0.0000  0.2452  1.0
  Br  Br3  4  0.0000  0.2488  0.2297  1.0
  Br  Br4  4  0.2361  0.5000  0.5247  1.0
  Br  Br5  4  0.2451  0.5000  0.0100  1.0
]