data_TlV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Pb
_chemical_formula_sum   'Tl1 V2 Pb1'
_cell_volume   77.77
_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  Tl1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.79  0.0  0.2  1.0
  V  V3  1  0.79  0.0  0.57  1.0
  Pb  Pb0  1  0.0  0.0  0.39  1.0

data_TlV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Pb
_chemical_formula_sum   'Tl1 V2 Pb1'
_cell_volume   77.77
_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  0.0  0.0  1.0
  V  V1  1  0.79  0.0  0.2  1.0
  V  V2  1  0.79  0.0  0.57  1.0
  Pb  Pb3  1  0.0  0.0  0.39  1.0

Tl V V Pb