data_[Tl6V2Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1808]
_cell_length_b [9.8954]
_cell_length_c [8.1495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3VBr7]
_chemical_formula_sum '[Tl6 V2 Br14]'
_cell_volume [799.8166]
_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  0.4981  0.2928  0.4801  1
  Tl  Tl1  2  0.4873  0.0000  0.9441  1
  V  V2  2  0.4885  0.5000  0.9736  1
  Br  Br3  4  0.1258  0.1819  0.1897  1
  Br  Br4  4  0.3500  0.3214  0.7442  1
  Br  Br5  2  0.1503  0.0000  0.8334  1
  Br  Br6  2  0.3309  0.5000  0.1127  1
  Br  Br7  2  0.4703  0.0000  0.5582  1
]