data_V2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   19.48
_cell_angle_beta   19.48
_cell_angle_gamma   19.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PbAu
_chemical_formula_sum   'V2 Pb1 Au1'
_cell_volume   75.1
_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  0.0  0.62  1.0
  V  V3  1  0.0  0.0  0.92  1.0
  Pb  Pb1  1  0.0  0.0  0.11  1.0
  Au  Au0  1  0.0  0.0  0.84  1.0

data_V2PbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.1
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2PbAu
_chemical_formula_sum   'V4 Pb2 Au2'
_cell_volume   150.21
_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  2  0.0  0.0  0.08  1.0
  V  V1  2  0.0  0.0  0.38  1.0
  Pb  Pb2  2  0.0  0.0  0.89  1.0
  Au  Au3  2  0.0  0.0  0.16  1.0

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