data_VPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   137.39
_cell_angle_beta   137.39
_cell_angle_gamma   61.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPPb2
_chemical_formula_sum   'V1 P1 Pb2'
_cell_volume   88.15
_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  0.11  0.49  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.11  0.0  0.49  1.0
  Pb  Pb2  1  0.0  0.0  0.97  1.0

data_VPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.8
_cell_angle_alpha   111.3
_cell_angle_beta   111.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPPb2
_chemical_formula_sum   'V1 P1 Pb2'
_cell_volume   88.15
_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  0.62  0.11  0.62  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.03  0.0  0.03  1.0
  Pb  Pb3  1  0.51  0.0  0.62  1.0

V P Pb Pb