data_V2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   136.17
_cell_angle_beta   136.17
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiPb
_chemical_formula_sum   'V2 Ni1 Pb1'
_cell_volume   60.39
_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  V2  1  0.0  0.88  0.14  1.0
  V  V3  1  0.88  0.0  0.14  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.28  1.0

data_V2NiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   121.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2NiPb
_chemical_formula_sum   'V4 Ni2 Pb2'
_cell_volume   120.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.3  0.44  0.74  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.22  0.5  0.72  1.0

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