data_[Tl6Ag9Sn3Br24]
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 [R3m]
_cell_length_a [8.5408]
_cell_length_b [8.5408]
_cell_length_c [23.3638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Ag3SnBr8]
_chemical_formula_sum '[Tl6 Ag9 Sn3 Br24]'
_cell_volume [1475.9406]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4972  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8651  1.0
  Ag  Ag2  9  0.1746  0.3493  0.3303  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1336  1.0
  Br  Br4  9  0.0119  0.5059  0.2611  1.0
  Br  Br5  9  0.0191  0.5096  0.7400  1.0
  Br  Br6  3  0.0000  0.0000  0.2887  1.0
  Br  Br7  3  0.0000  0.0000  0.7288  1.0
]