data_Al2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPb
_chemical_formula_sum   'Al2 V1 Pb1'
_cell_volume   77.97
_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
  Al  Al0  1  0.41  0.04  0.69  1.0
  Al  Al1  1  0.41  0.96  0.69  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.83  0.0  0.0  1.0

data_Al2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   110.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPb
_chemical_formula_sum   'Al2 V1 Pb1'
_cell_volume   77.97
_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
  Al  Al0  1  0.69  0.41  0.96  1.0
  Al  Al1  1  0.69  0.41  0.04  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.83  0.0  1.0

Al Al V Pb
Al Al V Pb 0 1 o - o 2 3 - o o 