data_TlVSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   4.97
_cell_angle_alpha   109.57
_cell_angle_beta   109.57
_cell_angle_gamma   24.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVSn2
_chemical_formula_sum   'Tl1 V1 Sn2'
_cell_volume   96.85
_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  0.06  0.0  0.33  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.96  0.0  0.8  1.0
  Sn  Sn1  1  0.17  0.0  0.87  1.0

data_TlVSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.97
_cell_length_c   7.07
_cell_angle_alpha   109.57
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVSn2
_chemical_formula_sum   'Tl1 V1 Sn2'
_cell_volume   96.85
_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  0.0  0.33  0.06  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.8  0.96  1.0
  Sn  Sn3  1  0.0  0.87  0.17  1.0

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