data_TlVB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.05
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVB2
_chemical_formula_sum   'Tl1 V1 B2'
_cell_volume   55.98
_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  0.15  0.52  0.8  1.0
  V  V3  1  0.19  0.0  0.05  1.0
  B  B0  1  0.63  0.52  0.04  1.0
  B  B1  1  0.69  0.0  0.68  1.0

data_TlVB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.21
_cell_length_c   5.71
_cell_angle_alpha   91.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVB2
_chemical_formula_sum   'Tl1 V1 B2'
_cell_volume   55.98
_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  0.48  0.85  0.2  1.0
  V  V1  1  0.0  0.81  0.95  1.0
  B  B2  1  0.0  0.31  0.32  1.0
  B  B3  1  0.48  0.37  0.96  1.0

Tl V B B
Tl V B B 0 3 - o o 0 3 - + o 0 3 o o o 0 3 o + o 0 2 - o + 0 2 o o + 0 1 o o + 0 1 o + + 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 o o - 1 3 - o - 2 3 o + - 2 3 o o - 