data_Al2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   3.9
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSi
_chemical_formula_sum   'Al4 V2 Si2'
_cell_volume   120.55
_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  0.0  0.0  1.0
  Al  Al1  1  0.52  0.0  0.0  1.0
  Al  Al2  1  0.26  0.0  0.57  1.0
  Al  Al3  1  0.77  0.0  0.58  1.0
  V  V6  1  0.26  0.95  0.72  1.0
  V  V7  1  0.77  0.95  0.42  1.0
  Si  Si4  1  0.26  0.95  0.14  1.0
  Si  Si5  1  0.77  0.95  0.0  1.0

data_Al2VSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.03
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSi
_chemical_formula_sum   'Al4 V2 Si2'
_cell_volume   120.55
_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  0.0  0.0  1.0
  Al  Al1  1  0.0  0.23  0.42  1.0
  Al  Al2  1  0.0  0.48  0.0  1.0
  Al  Al3  1  0.0  0.74  0.43  1.0
  V  V4  1  0.05  0.23  0.58  1.0
  V  V5  1  0.05  0.74  0.28  1.0
  Si  Si6  1  0.05  0.23  1.0  1.0
  Si  Si7  1  0.05  0.74  0.86  1.0

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