data_Al8V2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8V2Si
_chemical_formula_sum   'Al8 V2 Si1'
_cell_volume   175.2
_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  0.93  0.91  1.0
  Al  Al1  1  0.93  0.0  0.91  1.0
  Al  Al2  1  0.93  0.93  0.83  1.0
  Al  Al3  1  0.93  0.93  0.98  1.0
  Al  Al4  1  0.0  0.93  0.86  1.0
  Al  Al5  1  0.93  0.0  0.86  1.0
  Al  Al6  1  0.0  0.93  0.96  1.0
  Al  Al7  1  0.93  0.0  0.96  1.0
  V  V9  1  0.0  0.0  0.07  1.0
  V  V10  1  0.0  0.0  0.74  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0

data_Al8V2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al8V2Si
_chemical_formula_sum   'Al16 V4 Si2'
_cell_volume   350.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.46  0.46  0.86  1.0
  Al  Al1  4  0.46  0.46  0.91  1.0
  Al  Al2  4  0.46  0.46  0.96  1.0
  Al  Al3  2  0.43  0.5  0.83  1.0
  Al  Al4  2  0.43  0.5  0.98  1.0
  V  V5  2  0.0  0.0  0.07  1.0
  V  V6  2  0.0  0.0  0.74  1.0
  Si  Si7  2  0.0  0.0  0.0  1.0

Al Al Al Al Al Al Al Al V V Si
Al Al Al Al Al Al Al Al V V Si 0 1 - + o 2 4 + o o 2 5 o + o 2 9 + + o 3 6 + o o 3 7 o + o 3 10 + + + 4 5 - + o 4 9 o + o 5 9 + o o 6 7 - + o 8 10 o o o 