data_TlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   4.38
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV
_chemical_formula_sum   'Tl4 V4'
_cell_volume   153.96
_cell_formula_units_Z   4
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  0.84  0.28  0.08  1.0
  Tl  Tl1  1  0.18  0.09  0.17  1.0
  Tl  Tl2  1  0.86  0.28  0.65  1.0
  Tl  Tl3  1  0.2  0.09  0.74  1.0
  V  V4  1  0.38  0.28  0.29  1.0
  V  V5  1  0.64  0.09  0.2  1.0
  V  V6  1  0.4  0.28  0.62  1.0
  V  V7  1  0.67  0.09  0.53  1.0

data_TlV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.38
_cell_length_b   5.82
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlV
_chemical_formula_sum   'Tl4 V4'
_cell_volume   153.96
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.24  0.84  1.0
  Tl  Tl1  2  0.09  0.67  0.82  1.0
  V  V2  2  0.09  0.21  0.38  1.0
  V  V3  2  0.09  0.88  0.36  1.0

Tl Tl Tl Tl V V V V