data_VGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.59
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   102.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGePb2
_chemical_formula_sum   'V1 Ge1 Pb2'
_cell_volume   104.04
_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  0.07  0.0  0.1  1.0
  Ge  Ge0  1  0.27  0.29  0.15  1.0
  Pb  Pb1  1  0.86  0.0  0.65  1.0
  Pb  Pb2  1  0.36  0.29  0.75  1.0

data_VGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.59
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   102.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGePb2
_chemical_formula_sum   'V1 Ge1 Pb2'
_cell_volume   104.04
_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  0.07  0.0  0.1  1.0
  Ge  Ge1  1  0.27  0.29  0.15  1.0
  Pb  Pb2  1  0.36  0.29  0.75  1.0
  Pb  Pb3  1  0.86  0.0  0.65  1.0

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