data_V2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.9
_cell_length_b   8.9
_cell_length_c   8.9
_cell_angle_alpha   19.45
_cell_angle_beta   19.45
_cell_angle_gamma   19.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuPb
_chemical_formula_sum   'V2 Cu1 Pb1'
_cell_volume   68.31
_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  0.42  1.0
  V  V3  1  0.0  0.0  0.76  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.09  1.0

data_V2CuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2CuPb
_chemical_formula_sum   'V4 Cu2 Pb2'
_cell_volume   136.62
_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  0.24  1.0
  V  V1  2  0.0  0.0  0.58  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.91  1.0

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