data_TlVBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21
_cell_length_b   10.21
_cell_length_c   10.21
_cell_angle_alpha   21.11
_cell_angle_beta   21.11
_cell_angle_gamma   21.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVBr2
_chemical_formula_sum   'Tl1 V1 Br2'
_cell_volume   121.0
_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  Tl2  1  0.0  0.0  0.97  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.48  1.0
  Br  Br1  1  0.0  0.0  0.46  1.0

data_TlVBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.48
_cell_length_b   3.74
_cell_length_c   10.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlVBr2
_chemical_formula_sum   'Tl2 V2 Br4'
_cell_volume   242.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.03  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.52  1.0
  Br  Br3  2  0.0  0.0  0.54  1.0

Tl V Br Br