data_[Tl2V1Au1Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5655]
_cell_length_b [7.5953]
_cell_length_c [7.6319]
_cell_angle_alpha [61.0791]
_cell_angle_beta [62.4639]
_cell_angle_gamma [89.2126]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2VAuBr6]
_chemical_formula_sum '[Tl2 V1 Au1 Br6]'
_cell_volume [327.6978]
_cell_formula_units_Z [1]
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  1  0.5987  0.4445  0.8407  1
  Tl  Tl1  1  0.9815  0.9518  0.9510  1
  V  V2  1  0.3274  0.6823  0.3441  1
  Au  Au3  1  0.7979  0.1684  0.6183  1
  Br  Br4  1  0.0224  0.8387  0.4025  1
  Br  Br5  1  0.1397  0.4153  0.3108  1
  Br  Br6  1  0.1728  0.4449  0.7747  1
  Br  Br7  1  0.4633  0.9047  0.8825  1
  Br  Br8  1  0.5350  0.9691  0.3004  1
  Br  Br9  1  0.6228  0.5188  0.2516  1
]