data_V2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   136.65
_cell_angle_beta   136.65
_cell_angle_gamma   62.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PPb
_chemical_formula_sum   'V2 P1 Pb1'
_cell_volume   64.98
_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  0.92  0.21  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.92  0.0  0.21  1.0

data_V2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.19
_cell_angle_alpha   111.67
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PPb
_chemical_formula_sum   'V2 P1 Pb1'
_cell_volume   64.98
_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  0.3  0.21  0.3  1.0
  V  V1  1  0.42  0.42  0.42  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.21  0.3  0.3  1.0

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