data_Al2V2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2V2Si
_chemical_formula_sum   'Al4 V4 Si2'
_cell_volume   143.16
_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
  Al  Al0  1  0.37  0.58  0.0  1.0
  Al  Al1  1  0.07  0.85  0.0  1.0
  Al  Al2  1  0.85  0.37  0.0  1.0
  Al  Al3  1  0.58  0.07  0.0  1.0
  V  V6  1  0.1  0.32  0.73  1.0
  V  V7  1  0.33  0.11  0.73  1.0
  V  V8  1  0.11  0.1  0.73  1.0
  V  V9  1  0.32  0.33  0.73  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.22  0.22  0.0  1.0

data_Al2V2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2V2Si
_chemical_formula_sum   'Al4 V4 Si2'
_cell_volume   143.16
_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
  Al  Al0  1  0.0  0.07  0.85  1.0
  Al  Al1  1  0.0  0.37  0.58  1.0
  Al  Al2  1  0.0  0.58  0.07  1.0
  Al  Al3  1  0.0  0.85  0.37  1.0
  V  V4  1  0.73  0.1  0.32  1.0
  V  V5  1  0.73  0.11  0.1  1.0
  V  V6  1  0.73  0.32  0.33  1.0
  V  V7  1  0.73  0.33  0.11  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0
  Si  Si9  1  0.0  0.22  0.22  1.0

Al Al Al Al V V V V Si Si
Al Al Al Al V V V V Si Si 0 7 o o - 1 8 o + o 2 4 + o - 3 5 o o - 4 9 o o + 4 6 o o o 4 7 o o o 5 6 o o o 5 9 o o + 5 7 o o o 6 8 o o + 6 9 o o + 7 9 o o + 