data_[Tl3Ag6Sb3Br18]
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 [R3]
_cell_length_a [7.6129]
_cell_length_b [7.6129]
_cell_length_c [20.7261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TlAg2SbBr6]
_chemical_formula_sum '[Tl3 Ag6 Sb3 Br18]'
_cell_volume [1040.2675]
_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  0.4887  1.0
  Ag  Ag1  3  0.0000  0.0000  0.2424  1.0
  Ag  Ag2  3  0.0000  0.0000  0.8132  1.0
  Sb  Sb3  3  0.0000  0.0000  0.0033  1.0
  Br  Br4  9  0.0126  0.2990  0.9084  1.0
  Br  Br5  9  0.0452  0.7039  0.7385  1.0
]