data_TlVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   4.81
_cell_angle_alpha   107.21
_cell_angle_beta   107.21
_cell_angle_gamma   24.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPb2
_chemical_formula_sum   'Tl1 V1 Pb2'
_cell_volume   104.85
_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  0.71  0.0  0.99  1.0
  V  V3  1  0.57  0.0  0.14  1.0
  Pb  Pb0  1  0.88  0.0  0.31  1.0
  Pb  Pb1  1  0.58  0.0  0.45  1.0

data_TlVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.81
_cell_length_c   7.47
_cell_angle_alpha   107.21
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPb2
_chemical_formula_sum   'Tl1 V1 Pb2'
_cell_volume   104.85
_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  0.99  0.71  1.0
  V  V1  1  0.0  0.14  0.57  1.0
  Pb  Pb2  1  0.0  0.31  0.88  1.0
  Pb  Pb3  1  0.0  0.45  0.58  1.0

Tl V Pb Pb
Tl V Pb Pb 0 1 o o + 0 2 o o + 1 3 o o o 