data_Al(VSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   3.46
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(VSi2)2
_chemical_formula_sum   'Al2 V4 Si8'
_cell_volume   194.22
_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  0.79  0.6  0.87  1.0
  Al  Al1  1  0.12  0.87  0.84  1.0
  V  V10  1  0.02  0.87  0.99  1.0
  V  V11  1  0.89  0.6  0.72  1.0
  V  V12  1  0.7  0.87  0.93  1.0
  V  V13  1  0.21  0.6  0.78  1.0
  Si  Si2  1  0.62  0.87  0.7  1.0
  Si  Si3  1  0.29  0.6  0.01  1.0
  Si  Si4  1  0.8  0.87  0.87  1.0
  Si  Si5  1  0.11  0.6  0.84  1.0
  Si  Si6  1  0.31  0.87  0.85  1.0
  Si  Si7  1  0.6  0.6  0.86  1.0
  Si  Si8  1  0.75  0.87  0.86  1.0
  Si  Si9  1  0.16  0.6  0.84  1.0

data_Al(VSi2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.46
_cell_length_b   7.28
_cell_length_c   7.72
_cell_angle_alpha   92.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al(VSi2)2
_chemical_formula_sum   'Al2 V4 Si8'
_cell_volume   194.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.16  0.99  1.0
  V  V1  2  0.13  0.07  0.13  1.0
  V  V2  2  0.13  0.75  0.08  1.0
  Si  Si3  2  0.13  0.35  1.0  1.0
  Si  Si4  2  0.13  0.67  0.85  1.0
  Si  Si5  2  0.13  0.8  0.01  1.0
  Si  Si6  2  0.13  0.84  0.01  1.0

Al Al V V V V Si Si Si Si Si Si Si Si
Al Al V V V V Si Si Si Si Si Si Si Si 0 12 o o o 0 8 o o o 0 3 o o o 0 11 o o o 1 9 o o o 1 13 o o o 1 2 o o o 1 10 o o o 2 9 o o o 3 8 o o o 4 12 o o o 4 6 o o o 4 11 o o o 5 13 o o o 5 7 o o + 5 10 o o o 6 11 o o o 6 12 o o o 6 8 o o o 7 13 o o - 7 9 o o - 7 10 o o - 8 12 o o o 9 13 o o o 10 13 o o o 11 12 o o o 