data_TlVB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   140.51
_cell_angle_beta   140.51
_cell_angle_gamma   57.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVB2
_chemical_formula_sum   'Tl1 V1 B2'
_cell_volume   49.42
_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  0.68  0.0  0.19  1.0
  V  V3  1  0.0  0.0  0.37  1.0
  B  B0  1  0.0  0.68  0.19  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_TlVB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   4.98
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVB2
_chemical_formula_sum   'Tl1 V1 B2'
_cell_volume   49.42
_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  0.19  0.5  0.5  1.0
  V  V1  1  0.37  0.37  0.37  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.5  0.19  0.5  1.0

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