data_Al2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.93
_cell_angle_alpha   97.97
_cell_angle_beta   97.97
_cell_angle_gamma   33.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPb
_chemical_formula_sum   'Al2 V1 Pb1'
_cell_volume   73.83
_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  0.2  0.0  0.06  1.0
  Al  Al1  1  0.09  0.0  0.82  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.65  0.0  0.44  1.0

data_Al2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.93
_cell_length_c   5.23
_cell_angle_alpha   97.97
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPb
_chemical_formula_sum   'Al2 V1 Pb1'
_cell_volume   73.83
_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  0.0  0.06  0.2  1.0
  Al  Al1  1  0.0  0.82  0.09  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.44  0.65  1.0

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