data_VPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPb3
_chemical_formula_sum   'V2 Pb6'
_cell_volume   196.32
_cell_formula_units_Z   2
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  V6  1  0.0  0.76  0.34  1.0
  V  V7  1  0.26  0.88  0.01  1.0
  Pb  Pb0  1  0.0  0.94  0.01  1.0
  Pb  Pb1  1  0.58  0.67  0.01  1.0
  Pb  Pb2  1  0.42  0.67  0.01  1.0
  Pb  Pb3  1  0.26  0.7  0.34  1.0
  Pb  Pb4  1  0.68  0.97  0.34  1.0
  Pb  Pb5  1  0.83  0.97  0.34  1.0

data_VPb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.34
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VPb3
_chemical_formula_sum   'V2 Pb6'
_cell_volume   196.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.87  0.44  1.0
  Pb  Pb1  2  0.16  0.13  0.38  1.0
  Pb  Pb2  2  0.16  0.55  0.65  1.0
  Pb  Pb3  2  0.16  0.7  0.65  1.0

V V Pb Pb Pb Pb Pb Pb