data_Al2VSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSi2
_chemical_formula_sum   'Al4 V2 Si4'
_cell_volume   148.85
_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  0.08  0.29  0.8  1.0
  Al  Al1  1  0.35  0.14  0.8  1.0
  Al  Al2  1  0.14  0.08  0.8  1.0
  Al  Al3  1  0.29  0.35  0.8  1.0
  V  V8  1  0.0  0.0  0.0  1.0
  V  V9  1  0.21  0.21  0.0  1.0
  Si  Si4  1  0.33  0.55  0.0  1.0
  Si  Si5  1  0.09  0.88  0.0  1.0
  Si  Si6  1  0.88  0.33  0.0  1.0
  Si  Si7  1  0.55  0.09  0.0  1.0

data_Al2VSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_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   Al2VSi2
_chemical_formula_sum   'Al4 V2 Si4'
_cell_volume   148.85
_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  0.8  0.08  0.29  1.0
  Al  Al1  1  0.8  0.14  0.08  1.0
  Al  Al2  1  0.8  0.29  0.35  1.0
  Al  Al3  1  0.8  0.35  0.14  1.0
  V  V4  1  -0.0  0.21  0.21  1.0
  V  V5  1  0.0  0.0  0.0  1.0
  Si  Si6  1  -0.0  0.88  0.33  1.0
  Si  Si7  1  -0.0  0.33  0.55  1.0
  Si  Si8  1  -0.0  0.09  0.88  1.0
  Si  Si9  1  -0.0  0.55  0.09  1.0

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