data_[Tl3V3Ag6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2382]
_cell_length_b [7.2382]
_cell_length_c [19.8209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TlV(AgBr3)2]
_chemical_formula_sum '[Tl3 V3 Ag6 Br18]'
_cell_volume [899.3140]
_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  0.1884  1.0
  V  V1  3  0.0000  0.0000  0.6689  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0055  1.0
  Ag  Ag3  3  0.0000  0.0000  0.4752  1.0
  Br  Br4  9  0.0298  0.6163  0.2578  1.0
  Br  Br5  9  0.0400  0.3660  0.4088  1.0
]