data_VGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   145.35
_cell_angle_beta   128.57
_cell_angle_gamma   63.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaPb2
_chemical_formula_sum   'V1 Ga1 Pb2'
_cell_volume   89.5
_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  0.24  1.0
  Ga  Ga0  1  0.0  0.55  0.15  1.0
  Pb  Pb1  1  0.0  0.0  0.88  1.0
  Pb  Pb2  1  0.75  0.0  0.73  1.0

data_VGaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.11
_cell_length_c   5.88
_cell_angle_alpha   115.72
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaPb2
_chemical_formula_sum   'V1 Ga1 Pb2'
_cell_volume   89.5
_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  0.24  0.24  1.0
  Ga  Ga1  1  0.45  0.6  0.6  1.0
  Pb  Pb2  1  0.0  0.73  0.98  1.0
  Pb  Pb3  1  0.0  0.88  0.88  1.0

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