data_VTc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   135.39
_cell_angle_beta   135.39
_cell_angle_gamma   64.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTc2Pb
_chemical_formula_sum   'V1 Tc2 Pb1'
_cell_volume   65.06
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.32  1.0
  Tc  Tc2  1  0.0  0.94  0.16  1.0
  Pb  Pb0  1  0.94  0.0  0.16  1.0

data_VTc2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.12
_cell_angle_alpha   112.31
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTc2Pb
_chemical_formula_sum   'V1 Tc2 Pb1'
_cell_volume   65.06
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.22  0.16  0.22  1.0
  Tc  Tc2  1  0.32  0.32  0.32  1.0
  Pb  Pb3  1  0.16  0.22  0.22  1.0

V Tc Tc Pb
V Tc Tc Pb 0 3 - o o 0 2 o - o 1 3 - o o 1 2 o - o 2 3 - + o 