data_AlVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   137.42
_cell_angle_beta   137.42
_cell_angle_gamma   61.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVPb2
_chemical_formula_sum   'Al1 V1 Pb2'
_cell_volume   87.91
_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  0.0  0.0  1.0
  V  V3  1  0.0  0.1  0.48  1.0
  Pb  Pb1  1  0.1  0.0  0.48  1.0
  Pb  Pb2  1  0.0  0.0  0.97  1.0

data_AlVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.79
_cell_angle_alpha   111.29
_cell_angle_beta   111.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVPb2
_chemical_formula_sum   'Al1 V1 Pb2'
_cell_volume   87.91
_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  0.0  0.0  1.0
  V  V1  1  0.38  0.48  0.38  1.0
  Pb  Pb2  1  0.48  0.38  0.38  1.0
  Pb  Pb3  1  0.97  0.97  0.97  1.0

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