data_VCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.76
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuPb2
_chemical_formula_sum   'V1 Cu1 Pb2'
_cell_volume   80.76
_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
  Cu  Cu0  1  0.0  0.0  0.19  1.0
  Pb  Pb1  1  0.69  0.88  0.78  1.0
  Pb  Pb2  1  0.69  0.88  0.6  1.0

data_VCuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.76
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuPb2
_chemical_formula_sum   'V1 Cu1 Pb2'
_cell_volume   80.76
_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
  Cu  Cu1  1  0.0  0.0  0.19  1.0
  Pb  Pb2  1  0.69  0.88  0.6  1.0
  Pb  Pb3  1  0.69  0.88  0.78  1.0

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